Preprint PSI-PR-99-32

December 15, 1999

Collisional Quenching of the 2​S2𝑆2S State
of Muonic Hydrogen

T.S. Jensena,b and V.E. Markushina
aPaul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
bInstitut fΓΌr Theoretische Physik der UniversitΓ€t ZΓΌrich,
Winterthurerstrasse 190, CH-8057 ZΓΌrich, Switzerland

Abstract

We have calculated differential, total and transport cross sections for muonic hydrogen in the n=2𝑛2n=2 state scattering from hydrogen. The metastable fraction of the 2​S2𝑆2S state that slows down below the 2​P2𝑃2P threshold without undergoing collisional quenching has been calculated as a function of the initial kinetic energy using a Monte Carlo kinetics program. Contrary to earlier estimates, the metastable fraction in the kinetic energy range of 2βˆ’5252-5\;eV cannot be neglected.

1 Introduction

The 2​S2𝑆2S state of muonic hydrogen offers interesting possibilities to do precision tests of QED and to determine the proton RMS charge radius (see [1] and references therein). An isolated (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} is metastable with a lifetime mainly determined by muon decay (about 2.2​μ2.2πœ‡2.2\;\mus). In liquid or gaseous hydrogen the lifetime of the 2​S2𝑆2S state is shortened considerably because of Stark mixing followed by 2​Pβ†’1​Sβ†’2𝑃1𝑆2P\rightarrow 1S radiative transitions. If a sizeable fraction of muonic hydrogen atoms ends up in the 2​S2𝑆2S state with a sufficiently long lifetime, then precision laser experiments with this metastable 2​S2𝑆2S state become feasible. If the (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} has kinetic energy below the 2​P2𝑃2P threshold (laboratory kinetic energy T0=0.3subscript𝑇00.3T_{0}=0.3 eV), then Stark transitions 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P are energetically forbidden111Some quenching will, however, occur because 2​Sβˆ’2​P2𝑆2𝑃2S-2P mixing during collisions allows radiative transitions to the 1​S1𝑆1S state (See Refs. [2, 3, 4]).. The metastable fraction of (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} in hydrogen depends on the kinetic energy at the time of formation.

The first estimate of the (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} lifetime was done by Kodosky and Leon [5]. They calculated the inelastic 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P cross section in a semiclassical framework and concluded that the 2​S2𝑆2S state for T>T0𝑇subscript𝑇0T>T_{0} will be rapidly depopulated except for very small target densities. However, this model did not consider deceleration due to elastic 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S scattering. A more elaborate approach was developed by Carboni and Fiorentini [6]. They calculated both elastic 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S and inelastic 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P cross sections quantum mechanically and estimated the probability for a (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} atom to slow down below threshold from a given initial energy. The results of their calculations show that a sizeable fraction of (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} formed at kinetic energies less than 1.3 eV can slow down below the 2​P2𝑃2P threshold.

The metastable fraction of (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} per stopped muon can in principle be calculated in a cascade model which takes the different processes (Stark mixing, radiative decays, etc.) into account [7, 8]. However, if one knows the fraction of stopped muons which reaches the 2​S2𝑆2S state (regardless of energy) and the kinetic energy distribution on arrival in this state, then it is sufficient to treat the final part of the cascade (n=1,2𝑛12n=1,2). This information can be obtained from experiments. The fraction of stopped muons which arrives in the 2​S2𝑆2S state can be determined from the radiative yields [9, 10, 11]: it was found in Ref. [9] that between 2% and 7% of the μ​pπœ‡π‘\mu p reach the 2​S2𝑆2S state in the pressure range 0.33βˆ’8000.338000.33-800 hPa. The kinetic energy distribution for μ​pπœ‡π‘\mu p in the 1​S1𝑆1S state, which for low pressures is expected to be very similar to that of the 2​S2𝑆2S state just after arrival, can be obtained from diffusion experiments [12, 13]. The median energy is found to be about 1.5 eV for a target pressure of 0.25 hPa [13].

The purpose of this paper is to calculate the fraction of μ​pπœ‡π‘\mu p in the 2​S2𝑆2S state which reaches kinetic energies below the 2​P2𝑃2P threshold as a function of the initial kinetic energy T𝑇T. We will also present a fully quantum mechanical calculation of μ​p+limit-fromπœ‡π‘\mu p+H differential cross sections which are used in our Monte Carlo simulation of the kinetics.

The paper is organized as follows. The theoretical framework of the quantum mechanical calculation of the cross sections is outlined in Section 2. The calculated cross sections are discussed in Section 3. Section 4 presents the calculations of the metastable 2​S2𝑆2S fraction. The summary of the results is given in Section 5.

Unless otherwise stated, atomic units (ℏ=a0=me=1Planck-constant-over-2-pisubscriptπ‘Ž0subscriptπ‘šπ‘’1\hbar=a_{0}=m_{e}=1) are used throughout this paper. The unit of cross section is a02=2.8β‹…10βˆ’17​cm2superscriptsubscriptπ‘Ž02β‹…2.8superscript1017superscriptcm2a_{0}^{2}=2.8\cdot 10^{-17}{\rm cm}^{2}.

2 Quantum Mechanical Approach to the Calculation of the Cross Sections (μ​p)n​l+Hβ†’(μ​p)n​lβ€²+Hβ†’subscriptπœ‡π‘π‘›π‘™Hsubscriptπœ‡π‘π‘›superscript𝑙′H(\mu p)_{nl}+{\rm H}\rightarrow(\mu p)_{nl^{\prime}}+{\rm H}


Figure 1: Coordinates used in the calculations: 𝑹𝑹R is the vector from the target proton to the center of mass of the μ​pπœ‡π‘\mu p, 𝒓𝒓r is the relative vector of the μ​pπœ‡π‘\mu p system.

For the benefit of the reader, we briefly describe the quantum mechanical calculation of μ​p+limit-fromπœ‡π‘\mu p+H scattering in the coupled-channel approximation. The three-body wave function Οˆβ€‹(𝒓,𝑹)πœ“π’“π‘Ή\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$}) where the coordinates 𝒓𝒓r and 𝑹𝑹R are defined in Fig. 1 satisfies the SchrΓΆdinger equation

Hβ€‹Οˆβ€‹(𝒓,𝑹)=Eβ€‹Οˆβ€‹(𝒓,𝑹)π»πœ“π’“π‘ΉπΈπœ“π’“π‘ΉH\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$})=E\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$}) (1)

where the Hamiltonian is given by

H=βˆ’βˆ‡22​μ+Hμ​p+V​(𝒓,𝑹).𝐻superscriptβˆ‡22πœ‡subscriptπ»πœ‡π‘π‘‰π’“π‘ΉH=-\frac{\nabla^{2}}{2\mu}+H_{\mu p}+V(\mbox{\boldmath$r$},\mbox{\boldmath$R$})\quad. (2)

Here ΞΌ=mp​mμ​p/(mp+mμ​p)πœ‡subscriptπ‘šπ‘subscriptπ‘šπœ‡π‘subscriptπ‘šπ‘subscriptπ‘šπœ‡π‘\mu=m_{p}m_{\mu p}/(m_{p}+m_{\mu p}) is the reduced mass of the pβˆ’ΞΌβ€‹pπ‘πœ‡π‘p-\mu p system, with mpsubscriptπ‘šπ‘m_{p} being the proton mass and mμ​psubscriptπ‘šπœ‡π‘m_{\mu p} the total μ​pπœ‡π‘\mu p mass. The two-body Hamiltonian of the μ​pπœ‡π‘\mu p atom, Hμ​psubscriptπ»πœ‡π‘H_{\mu p}, includes the Coulomb interaction and a term that describes the shift of the n​S𝑛𝑆nS state (mainly because of the vacuum polarization) with respect to the states with l>0𝑙0l>0. For the case n=2𝑛2n=2 considered below, the 2​S2𝑆2S state is lower than the 2​P2𝑃2P by Δ​E=0.21Δ𝐸0.21\Delta E=0.21 eV. The much smaller fine and hyperfine structure splitting is neglected. The potential V​(𝒓,𝑹)𝑉𝒓𝑹V(\mbox{\boldmath$r$},\mbox{\boldmath$R$}) describes the interaction of the μ​pπœ‡π‘\mu p system with the target proton222For the sake of simplicity, we ignore the fact that the protons are identical particles.:

V​(𝒓,𝑹)=1|π‘Ήβˆ’Ο΅β€‹π’“|βˆ’1|𝑹+(1βˆ’Ο΅)​𝒓|𝑉𝒓𝑹1𝑹italic-ϡ𝒓1𝑹1italic-ϡ𝒓V(\mbox{\boldmath$r$},\mbox{\boldmath$R$})=\frac{1}{|\mbox{\boldmath$R$}-\epsilon\mbox{\boldmath$r$}|}-\frac{1}{|\mbox{\boldmath$R$}+(1-\epsilon)\mbox{\boldmath$r$}|} (3)

where Ο΅=mΞΌ/mμ​p=0.101italic-Ο΅subscriptπ‘šπœ‡subscriptπ‘šπœ‡π‘0.101\epsilon=m_{\mu}/m_{\mu p}=0.101.

Equation (1) is solved in the coupled-channel approximation by using a finite number of basis functions to describe the state of the μ​pπœ‡π‘\mu p. For the problem of n​l​mβ†’n​l′​mβ€²β†’π‘›π‘™π‘šπ‘›superscript𝑙′superscriptπ‘šβ€²nlm\rightarrow nl^{\prime}m^{\prime} scattering considered in this paper, the set of n2superscript𝑛2n^{2} eigenstates with principal quantum number n𝑛n has been selected but the basis can be extended in a straightforward manner. With n𝑛n fixed, let Ο‡l​m​(𝒓)subscriptπœ’π‘™π‘šπ’“\chi_{lm}(\mbox{\boldmath$r$}) denote the normalized eigenfunctions of the atomic Hamiltonian Hμ​psubscriptπ»πœ‡π‘H_{\mu p} with the energy En​lsubscript𝐸𝑛𝑙E_{nl}, the square of the μ​pπœ‡π‘\mu p internal angular momentum π₯2superscriptπ₯2{\bf l}^{2} (eigenvalue l​(l+1)𝑙𝑙1l(l+1)) and its projection along the z𝑧z-axis lzsubscript𝑙𝑧l_{z} (eigenvalue mπ‘šm). The total wave function Οˆβ€‹(𝒓,𝑹)πœ“π’“π‘Ή\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$}) is expanded as follows

Οˆβ€‹(𝒓,𝑹)=Rβˆ’1β€‹βˆ‘J​M​L​lΞΎJ​L​l​(R)​𝒴L​lJ​M​(𝛀,𝒓)πœ“π’“π‘Ήsuperscript𝑅1subscript𝐽𝑀𝐿𝑙subscriptπœ‰π½πΏπ‘™π‘…superscriptsubscript𝒴𝐿𝑙𝐽𝑀𝛀𝒓\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$})=R^{-1}\sum_{JMLl}\xi_{JLl}(R){\cal Y}_{Ll}^{JM}(\mbox{\boldmath$\Omega$},\mbox{\boldmath$r$}) (4)

where

𝒴L​lJ​M​(𝛀,𝒓)=βˆ‘ML​m⟨L​l​ML​m|J​MβŸ©β€‹YL​ML​(𝛀)​χl​m​(𝒓),𝛀=𝑹/R.formulae-sequencesubscriptsuperscript𝒴𝐽𝑀𝐿𝑙𝛀𝒓subscriptsubscriptπ‘€πΏπ‘šinner-product𝐿𝑙subscriptπ‘€πΏπ‘šπ½π‘€subscriptπ‘ŒπΏsubscript𝑀𝐿𝛀subscriptπœ’π‘™π‘šπ’“π›€π‘Ήπ‘…{\cal Y}^{JM}_{Ll}(\mbox{\boldmath$\Omega$},\mbox{\boldmath$r$})=\sum_{M_{L}m}\langle LlM_{L}m|JM\rangle Y_{LM_{L}}(\mbox{\boldmath$\Omega$})\chi_{lm}(\mbox{\boldmath$r$}),\quad\mbox{\boldmath$\Omega$}=\mbox{\boldmath$R$}/R\quad. (5)

are simultaneous eigenfunctions of 𝐉2superscript𝐉2{\bf J}^{2}, 𝐋2superscript𝐋2{\bf L}^{2}, π₯2superscriptπ₯2{\bf l}^{2} and Jzsubscript𝐽𝑧J_{z} with eigenvalues J​(J+1)𝐽𝐽1J(J+1), L​(L+1)𝐿𝐿1L(L+1), l​(l+1)𝑙𝑙1l(l+1) and M𝑀M, respectively. Here L is the pβˆ’ΞΌβ€‹pπ‘πœ‡π‘p-\mu p relative angular momentum, 𝐉=𝐋+π₯𝐉𝐋π₯{\bf J}={\bf L}+{\bf l} is the total orbital angular momentum of the system. For a given value of J𝐽J the system of radial SchrΓΆdinger equations has the form

(βˆ’12​μ​d2d​R2+L​(L+1)2​μ​R2+En​lβˆ’E)​ξJ​L​l​(R)+βˆ‘L′​lβ€²βŸ¨L′​l′​J​M|V|L​l​J​MβŸ©β€‹ΞΎJ​L′​l′​(R)=012πœ‡superscript𝑑2𝑑superscript𝑅2𝐿𝐿12πœ‡superscript𝑅2subscript𝐸𝑛𝑙𝐸subscriptπœ‰π½πΏπ‘™π‘…subscriptsuperscript𝐿′superscript𝑙′quantum-operator-productsuperscript𝐿′superscript𝑙′𝐽𝑀𝑉𝐿𝑙𝐽𝑀subscriptπœ‰π½superscript𝐿′superscript𝑙′𝑅0\Big{(}-\frac{1}{2\mu}\frac{d^{2}}{dR^{2}}+\frac{L(L+1)}{2\mu R^{2}}+E_{nl}-E\Big{)}\xi_{JLl}(R)+\sum_{L^{\prime}l^{\prime}}\langle L^{\prime}l^{\prime}JM|V|LlJM\rangle\xi_{JL^{\prime}l^{\prime}}(R)=0 (6)

where the potential matrix elements are calculated in the basis (5):

βŸ¨π›€,𝒓|L​l​J​M⟩=𝒴L​lJ​M​(𝛀,𝒓).inner-product𝛀𝒓𝐿𝑙𝐽𝑀subscriptsuperscript𝒴𝐽𝑀𝐿𝑙𝛀𝒓\langle\mbox{\boldmath$\Omega$},\mbox{\boldmath$r$}|LlJM\rangle={\cal Y}^{JM}_{Ll}(\mbox{\boldmath$\Omega$},\mbox{\boldmath$r$})\quad. (7)

The matrix elements of the potential (3) have been calculated analytically; the corresponding formulas are rather lengthy and will be given elsewhere. From the asymptotic form of the solution of the n2superscript𝑛2n^{2} coupled333 Because of parity conservation the equations decouple into two sets of respectively n​(n+1)/2𝑛𝑛12n(n+1)/2 and n​(nβˆ’1)/2𝑛𝑛12n(n-1)/2 coupled equations. equations (6), the scattering matrix S𝑆S is extracted and cross sections can be calculated using standard formulas. The scattering amplitude for n​l​mβ†’n​l′​mβ€²β†’π‘›π‘™π‘šπ‘›superscript𝑙′superscriptπ‘šβ€²nlm\rightarrow nl^{\prime}m^{\prime} is given by

fn​l​mβ†’n​l′​m′​(𝛀)=4​π2​i​k′​kβ€‹βˆ‘L′​L​MLβ€²iLβˆ’L′​YL′​ML′​(𝛀)β€‹βŸ¨L′​l′​ML′​mβ€²|Sβˆ’1|L​l​0​mβŸ©β€‹YL​0βˆ—β€‹(0)subscriptπ‘“β†’π‘›π‘™π‘šπ‘›superscript𝑙′superscriptπ‘šβ€²π›€4πœ‹2𝑖superscriptπ‘˜β€²π‘˜subscriptsuperscript𝐿′𝐿superscriptsubscript𝑀𝐿′superscript𝑖𝐿superscript𝐿′subscriptπ‘Œsuperscript𝐿′superscriptsubscript𝑀𝐿′𝛀quantum-operator-productsuperscript𝐿′superscript𝑙′superscriptsubscript𝑀𝐿′superscriptπ‘šβ€²π‘†1𝐿𝑙0π‘šsuperscriptsubscriptπ‘ŒπΏ00f_{nlm\rightarrow nl^{\prime}m^{\prime}}(\mbox{\boldmath$\Omega$})=\frac{4\pi}{2i\sqrt{k^{\prime}k}}\sum_{L^{\prime}LM_{L}^{\prime}}i^{L-L^{\prime}}Y_{L^{\prime}M_{L}^{\prime}}(\mbox{\boldmath$\Omega$})\langle L^{\prime}l^{\prime}M_{L}^{\prime}m^{\prime}|S-1|Ll0m\rangle Y_{L0}^{*}(0) (8)

where

⟨L′​l′​ML′​mβ€²|S|L​l​0​m⟩=βˆ‘J​M⟨L′​l′​ML′​mβ€²|J​MβŸ©β€‹βŸ¨J​M|L​l​0​mβŸ©β€‹βŸ¨L′​l′​J|S|L​l​J⟩.quantum-operator-productsuperscript𝐿′superscript𝑙′superscriptsubscript𝑀𝐿′superscriptπ‘šβ€²π‘†πΏπ‘™0π‘šsubscript𝐽𝑀inner-productsuperscript𝐿′superscript𝑙′superscriptsubscript𝑀𝐿′superscriptπ‘šβ€²π½π‘€inner-product𝐽𝑀𝐿𝑙0π‘šquantum-operator-productsuperscript𝐿′superscript𝑙′𝐽𝑆𝐿𝑙𝐽\langle L^{\prime}l^{\prime}M_{L}^{\prime}m^{\prime}|S|Ll0m\rangle=\sum_{JM}\langle L^{\prime}l^{\prime}M_{L}^{\prime}m^{\prime}|JM\rangle\langle JM|Ll0m\rangle\langle L^{\prime}l^{\prime}J|S|LlJ\rangle\quad. (9)

As a consequence of rotational symmetry, the matrix elements ⟨L′​l′​J|S|L​l​J⟩quantum-operator-productsuperscript𝐿′superscript𝑙′𝐽𝑆𝐿𝑙𝐽\langle L^{\prime}l^{\prime}J|S|LlJ\rangle do not depend on the quantum number M𝑀M. The differential cross sections for the transitions n​lβ†’n​l′→𝑛𝑙𝑛superscript𝑙′nl\rightarrow nl^{\prime} are given by

d​σn​lβ†’n​lβ€²d​Ω=1(2​l+1)β€‹βˆ‘m′​mkβ€²k​|fn​l​mβ†’n​l′​mβ€²|2𝑑subscriptπœŽβ†’π‘›π‘™π‘›superscript𝑙′𝑑Ω12𝑙1subscriptsuperscriptπ‘šβ€²π‘šsuperscriptπ‘˜β€²π‘˜superscriptsubscriptπ‘“β†’π‘›π‘™π‘šπ‘›superscript𝑙′superscriptπ‘šβ€²2\frac{d\sigma_{nl\rightarrow nl^{\prime}}}{d\Omega}=\frac{1}{(2l+1)}\sum_{m^{\prime}m}\frac{k^{\prime}}{k}|f_{nlm\rightarrow nl^{\prime}m^{\prime}}|^{2} (10)

where kπ‘˜k and kβ€²superscriptπ‘˜β€²k^{\prime} are the magnitudes of the relative momenta in the initial and final state, correspondingly.

The total cross sections of the transitions n​lβ†’n​l′→𝑛𝑙𝑛superscript𝑙′nl\rightarrow nl^{\prime} have the form

Οƒn​lβ†’n​lβ€²=1(2​l+1)​πk2β€‹βˆ‘J(2​J+1)β€‹βˆ‘L​Lβ€²|⟨L′​l′​J|Sβˆ’1|L​l​J⟩|2subscriptπœŽβ†’π‘›π‘™π‘›superscript𝑙′12𝑙1πœ‹superscriptπ‘˜2subscript𝐽2𝐽1subscript𝐿superscript𝐿′superscriptquantum-operator-productsuperscript𝐿′superscript𝑙′𝐽𝑆1𝐿𝑙𝐽2\sigma_{nl\rightarrow nl^{\prime}}=\frac{1}{(2l+1)}\frac{\pi}{k^{2}}\sum_{J}(2J+1)\sum_{LL^{\prime}}|\langle L^{\prime}l^{\prime}J|S-1|LlJ\rangle|^{2} (11)

and the corresponding transport cross sections are given by

Οƒn​lβ†’n​lβ€²t​r=βˆ«π‘‘Ξ©β€‹(1βˆ’cos⁑θ)​d​σn​lβ†’n​lβ€²d​Ω.subscriptsuperscriptπœŽπ‘‘π‘Ÿβ†’π‘›π‘™π‘›superscript𝑙′differential-dΞ©1πœƒπ‘‘subscriptπœŽβ†’π‘›π‘™π‘›superscript𝑙′𝑑Ω\sigma^{tr}_{nl\rightarrow nl^{\prime}}=\int d\Omega(1-\cos\theta)\frac{d\sigma_{nl\rightarrow nl^{\prime}}}{d\Omega}\quad. (12)

In order to treat the long distance behaviour of the μ​p+limit-fromπœ‡π‘\mu p+H interaction properly, the effect of electron screening must be taken into account. This is done by multiplying the matrix elements ⟨L′​l′​J​M|V|L​l​J​M⟩quantum-operator-productsuperscript𝐿′superscript𝑙′𝐽𝑀𝑉𝐿𝑙𝐽𝑀\langle L^{\prime}l^{\prime}JM|V|LlJM\rangle in Eq. (6) by the screening factor

F​(R)=(1+2​R+2​R2)​eβˆ’2​R𝐹𝑅12𝑅2superscript𝑅2superscript𝑒2𝑅F(R)=(1+2R+2R^{2})e^{-2R} (13)

which corresponds to the assumption that the electron of the hydrogen atom remains unaffected in the 1​S1𝑆1S state during the collision.

For pβˆ’ΞΌβ€‹pπ‘πœ‡π‘p-\mu p separations R𝑅R smaller than a few units of the μ​pπœ‡π‘\mu p Bohr radius, aΞΌ=0.0054subscriptπ‘Žπœ‡0.0054a_{\mu}=0.0054, our model cannot be expected to be valid because the truncated set of basis functions in Eq. (4) is not sufficient to describe the total three-body wave function Οˆβ€‹(𝒓,𝑹)πœ“π’“π‘Ή\psi(\mbox{\boldmath$r$},\mbox{\boldmath$R$}). Furthermore, exchange symmetry between the two protons must be taken into account. We can estimate the sensitivity of our results to the short range part of the interaction by using the dipole approximation for the potential (3). The interaction in the dipole approximation is given by the first nonzero term in the expansion of Eq. (3) in inverse powers of R𝑅R:

VD​A​(𝒓,𝑹)=𝒓⋅𝑹R3=zR2.subscript𝑉𝐷𝐴𝒓𝑹⋅𝒓𝑹superscript𝑅3𝑧superscript𝑅2V_{DA}(\mbox{\boldmath$r$},\mbox{\boldmath$R$})=\frac{\mbox{\boldmath$r$}\cdot\mbox{\boldmath$R$}}{R^{3}}=\frac{z}{R^{2}}\quad. (14)

A certain problem arises in the dipole approximation for a few low partial waves (J≀5𝐽5J\leq 5): the SchrΓΆdinger equation becomes ill defined because of the attractive 1/R21superscript𝑅21/R^{2} singularity444This is a problem only in the dipole approximation. The exact matrix elements are all finite for R=0𝑅0R=0.. Following Ref. [6] we cure this difficulty by placing an infinitely repulsive sphere of radius rminsubscriptπ‘Ÿminr_{\mathrm{min}} around the target proton. The sensitivity of the results to this cutoff parameter rminsubscriptπ‘Ÿminr_{\mathrm{min}} will be used below as an estimate of the importance of detailed description of the interaction at short distances.

In this paper we are interested in the 2​lβ†’2​lβ€²β†’2𝑙2superscript𝑙′2l\rightarrow 2l^{\prime} transitions, and only four states n=2𝑛2n=2 are used to describe the μ​pπœ‡π‘\mu p part of the total wave function. The four coupled second order equations (6) are solved numerically for J=0,1,…,Jmax𝐽01…subscript𝐽maxJ=0,1,...,J_{\mathrm{max}} where the highest partial wave Jmaxsubscript𝐽maxJ_{\mathrm{max}} is chosen large enough to ensure the convergence of the partial wave expansion at given collision energy.

Until now we have considered the μ​pπœ‡π‘\mu p collisions with the atomic target. Treating the collisions with hydrogen molecules is a formidable task (even for μ​pπœ‡π‘\mu p in the ground state [14]) which we do not attempt here. The inelastic threshold T0subscript𝑇0T_{0} for 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P transitions is 0.44 eV for atomic target and 0.33 eV for a molecular target. To get the correct threshold value for the inelastic cross sections one can substitute the atomic hydrogen mass with the molecular one. By varying rminsubscriptπ‘Ÿminr_{\mathrm{\mathrm{\mathrm{min}}}} and the target mass one can obtain an estimate of the theoretical uncertainty of our approach.

The present model for calculating cross sections for (μ​p)n=2βˆ’limit-fromsubscriptπœ‡π‘π‘›2(\mu p)_{n=2}-H scattering is a straightforward extension of the one by Carboni and Fiorentini [6]. There are three major differences: we solve the four coupled differential equations exactly while Ref. [6] treated non adiabatic terms as a perturbation. The second difference is that we include the full angular coupling while Ref. [6] omitted some minor terms. Finally, we use exact matrix elements for the μ​pβˆ’pπœ‡π‘π‘\mu p-p interaction while Ref. [6] considers only the dipole approximation. These approximations were justified by Ref. [6] as follows: for small kinetic energies the velocity of the muonic hydrogen atom is so low that the motion can be regarded as nearly adiabatic. The angular coupling terms that were omitted in Ref. [6] are of the order 1 which is much smaller than the remaining angular coupling terms of the order of J​(J+1)𝐽𝐽1J(J+1) (the angular momenta as high as J∼15similar-to𝐽15J\sim 15 contribute to the 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P cross section at T=1𝑇1T=1 eV). The electric field from a hydrogen atom is strong enough to induce Stark transitions in the μ​pπœ‡π‘\mu p for the distances R∼a0similar-to𝑅subscriptπ‘Ž0R\sim a_{0}. Therefore, the regions where the dipole approximation is valid (R≫aΞΌmuch-greater-than𝑅subscriptπ‘Žπœ‡R\gg a_{\mu}) are supposed to be most important. The diffusion experiments [12, 13] have shown that a sizeable fraction of (μ​p)n=2subscriptπœ‡π‘π‘›2(\mu p)_{n=2} atoms has kinetic energies of several eV. In this high energy region the non adiabatic couplings become strong and the model of Ref. [6] can not be expected to give accurate results.

The problem of μ​p+limit-fromπœ‡π‘\mu p+H scattering has been treated fully quantum mechanically in Refs. [16, 17, 18, 19]. However, these calculations did not include the 2​Sβˆ’2​P2𝑆2𝑃2S-2P energy splitting and the question of the metastability of (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} was not addressed. Stark mixing has been studied in the semiclassical straight-line-trajectory approximation in Refs. [5, 15, 20]. We have calculated the 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P Stark mixing cross sections in the semiclassical approach in order to compare with the quantum mechanical results. A more detailed comparison between semiclassical and quantum mechanical calculations of μ​p+Hπœ‡π‘H\mu p+{\rm H} scattering will be given elsewhere.

3 The Cross Sections of (μ​p)2​lsubscriptπœ‡π‘2𝑙(\mu p)_{2l} Scattering from Hydrogen

Using the method described in Section 2 the S-matrix has been calculated for the laboratory kinetic energy range T0<T<6subscript𝑇0𝑇6T_{0}<T<6 eV. Unless otherwise explicitly stated, the results shown are obtained with the exact potential (3). Electron screening is always taken into account. Both atomic and molecular mass of the target (Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{{\rm H}}, MH2subscript𝑀subscriptH2M_{{\rm H}_{2}}) have been used.

Figure 2 shows the 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S transport cross section and the 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P Stark mixing cross section in comparison with the results from Ref. [6] (the molecular mass is used in both cases). There is a good agreement for the Stark mixing 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P cross section below 1.7 eV. For the 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S transport cross section, the agreement is fair, with the discrepancy being typically less than 30%.

Figure 2: Transport cross section 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S (solid lines) and Stark mixing cross section 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P (long-dashed lines) vs. laboratory kinetic energy T𝑇T. The thick lines are the results of the present calculations, the thin lines are obtained from Fig. 3 of Ref. [6] and the dotted line shows the result of the semiclassical calculation in the straight-line-trajectory approximation. The quantum mechanical cross sections are calculated with Mtarget=MH2subscript𝑀targetsubscript𝑀subscriptH2M_{\mathrm{target}}=M_{\rm H_{2}}.

In order to estimate the theoretical uncertainty of our approach, we calculated the cross sections in the dipole approximation with short distance cutoff 0.01≀rmin≀0.050.01subscriptπ‘Ÿmin0.050.01\leq r_{\mathrm{min}}\leq 0.05 for Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{\rm H} and Mtarget=MH2subscript𝑀targetsubscript𝑀subscriptH2M_{\mathrm{target}}=M_{\rm H_{2}}. For fixed value of Mtargetsubscript𝑀targetM_{\mathrm{target}}, the cross sections for the three reactions 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P, 2​Pβ†’2​Sβ†’2𝑃2𝑆2P\rightarrow 2S and 2​Pβ†’2​Pβ†’2𝑃2𝑃2P\rightarrow 2P are weakly dependent on rminsubscriptπ‘Ÿminr_{\mathrm{min}}. This shows that these reactions are dominated by the long range part of the interaction V​(𝒓,𝑹)𝑉𝒓𝑹V(\mbox{\boldmath$r$},\mbox{\boldmath$R$}). The only process rather sensitive to the value of rminsubscriptπ‘Ÿminr_{\mathrm{min}} is the elastic scattering 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S. This can be understood by considering the adiabatic energy curves for low angular momentum. The energy curve which corresponds asymptotically to the 2​S2𝑆2S state is attractive while those corresponding to the three 2​P2𝑃2P states are repulsive. Therefore, in the adiabatic approximation the 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S cross sections are expected to depend on the short range part of the potential while this is not the case for 2​Pβ†’2​Pβ†’2𝑃2𝑃2P\rightarrow 2P scattering. At energies above 2 eV the semiclassical approximation is in a good agreement with our quantum mechanical results. However, this semiclassical approximation does not treat the threshold behaviour correctly.

(a) (b)

Figure 3: Partial wave cross sections for the reactions 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P (a) and 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S (b) at laboratory kinetic energy 3 eV and Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{\rm H}. The histograms show the results for exact matrix elements; the dipole approximation with rmin=0.01subscriptπ‘Ÿmin0.01r_{\mathrm{min}}=0.01 and rmin=0.05subscriptπ‘Ÿmin0.05r_{\mathrm{min}}=0.05 is shown by o and Γ—\times, respectively. The semiclassical result for the 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P transition is shown with a solid line.

A more detailed comparison of the approximations used can be done by plotting the J𝐽J dependence of the partial wave cross sections ΟƒJsubscript𝜎𝐽\sigma_{J} at fixed energy as shown in Fig. 3. The quantum mechanical results obtained for the exact potential and the dipole approximation with the short range cutoff agree well for angular momentum J>5𝐽5J>5 while the lowest partial waves are sensitive to the short range behaviour of the approximating potentials. The reason is that for J>5𝐽5J>5 the centrifugal barrier is strong enough to prevent the μ​pπœ‡π‘\mu p from approaching close to the target proton. For J≀5𝐽5J\leq 5 the μ​pπœ‡π‘\mu p can get very close to the proton and the use of a small number of atomic orbitals is not sufficient β€” a better description in this region is needed in a true three–body framework. It is seen that a substantial part of the 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S cross section comes from partial waves with low J𝐽J, so this result also explains why the uncertainty of the elastic 2​S2𝑆2S cross section is larger than for the other reactions. The semiclassical calculation can be compared with the partial wave cross sections by using the relation between the impact parameter ρ𝜌\rho, the relative momentum kπ‘˜k and the angular momentum J𝐽J

k​ρ=J+1/2.π‘˜πœŒπ½12k\rho=J+1/2\quad. (15)

For large J𝐽J (large impact parameter) there is a very good agreement between the semiclassical contribution to the 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P cross section and the quantum mechanical partial wave result. An example of the differential cross sections for the reaction 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S given in Fig. 4 shows a characteristic pattern with a strong forward peak and a set of maxima and minima, which is in qualitative agreement with Ref. [18] where the adiabatic approach was used.

(a) (b)

Figure 4: Differential 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S cross sections vs. CMS scattering angle ΞΈπœƒ\theta for three different laboratory kinetic energies: (a) Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{\rm H}, (b) Mtarget=MH2subscript𝑀targetsubscript𝑀subscriptH2M_{\mathrm{target}}=M_{{\rm H}_{2}}.

4 The Surviving Fraction of the Metastable (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} State

The surviving metastable fraction f​(T)𝑓𝑇f(T) is defined as the probability that the μ​pπœ‡π‘\mu p atom in the 2​S2𝑆2S state with initial kinetic energy T𝑇T reaches the energy below the 2​P2𝑃2P threshold by slowing down in elastic collisions. Assuming that the rate of the radiative transition 2​Pβ†’1​Sβ†’2𝑃1𝑆2P\rightarrow 1S, Ξ»2​Pβ†’1​S=1.2β‹…1011​sβˆ’1subscriptπœ†β†’2𝑃1𝑆⋅1.2superscript1011superscripts1\lambda_{2P\rightarrow 1S}=1.2\cdot 10^{11}~{}{\rm s}^{-1}, is much larger than the Stark mixing rate555With our result for the Stark mixing rate 2​Pβ†’2​Sβ†’2𝑃2𝑆2P\rightarrow 2S at 1 eV as a function of the target density N𝑁N, Ξ»2​Pβ†’2​S=N​v​σ2​Pβ†’2​Sβ‰ˆ4β‹…1012​(N/N0)​sβˆ’1subscriptπœ†β†’2𝑃2𝑆𝑁𝑣subscriptπœŽβ†’2𝑃2𝑆⋅4superscript1012𝑁subscript𝑁0superscripts1\lambda_{2P\rightarrow 2S}=Nv\sigma_{2P\rightarrow 2S}\approx 4\cdot 10^{12}(N/N_{0})~{}{\rm s}^{-1} where N0subscript𝑁0N_{0} is the liquid hydrogen density 4.25β‹…1022β‹…4.25superscript10224.25\cdot 10^{22} atoms/cm3, the range of validity is Nβ‰ͺ0.03​N0much-less-than𝑁0.03subscript𝑁0N\ll 0.03N_{0}., the surviving fraction f​(T)𝑓𝑇f(T) was estimated in [6] by the formula

f​(T)=exp⁑(βˆ’(mμ​p+Mtarget)22​mμ​p​Mtargetβ€‹βˆ«T0TΟƒ2​Sβ†’2​P​(Tβ€²)T′​σ2​Sβ†’2​St​r​(Tβ€²)​𝑑Tβ€²)𝑓𝑇superscriptsubscriptπ‘šπœ‡π‘subscript𝑀target22subscriptπ‘šπœ‡π‘subscript𝑀targetsuperscriptsubscriptsubscript𝑇0𝑇subscriptπœŽβ†’2𝑆2𝑃superscript𝑇′superscript𝑇′superscriptsubscriptπœŽβ†’2𝑆2π‘†π‘‘π‘Ÿsuperscript𝑇′differential-dsuperscript𝑇′f(T)=\exp\left(-\frac{(m_{\mu p}+M_{\mathrm{target}})^{2}}{2m_{\mu p}M_{\mathrm{target}}}\int_{T_{0}}^{T}\frac{\sigma_{2S\rightarrow 2P}(T^{\prime})}{T^{\prime}\sigma_{2S\rightarrow 2S}^{tr}(T^{\prime})}dT^{\prime}\right) (16)

with Mtarget=MH2subscript𝑀targetsubscript𝑀subscriptH2M_{\mathrm{target}}=M_{{\rm H_{2}}}. It was found that a sizeable fraction of (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} atoms formed at kinetic energies below 1.3 eV slows down below threshold.

Figure 5: Collisional rates for 2​lβ†’2​lβ€²β†’2𝑙2superscript𝑙′2l\rightarrow 2l^{\prime} in liquid hydrogen (N=N0𝑁subscript𝑁0N=N_{0}, Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{\rm H}) and the radiative 2​Pβ†’1​Sβ†’2𝑃1𝑆2P\rightarrow 1S transition rate.

Equation (16) is based on the approximation of continuous energy loss. To provide a more realistic treatment of the evolution in kinetic energy we use a Monte Carlo program based on the differential cross sections for the four processes 2​Sβ†’2​Sβ†’2𝑆2𝑆2S\rightarrow 2S, 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P, 2​Pβ†’2​Sβ†’2𝑃2𝑆2P\rightarrow 2S and 2​Pβ†’2​Pβ†’2𝑃2𝑃2P\rightarrow 2P. In addition to the collisional processes, the 2​Pβ†’1​Sβ†’2𝑃1𝑆2P\rightarrow 1S radiative transition is also included in the code. The fate of a μ​pπœ‡π‘\mu p formed in the 2​S2𝑆2S state with kinetic energy T𝑇T is thus either to undergo 2​Pβ†’1​Sβ†’2𝑃1𝑆2P\rightarrow 1S radiative transition after the Stark mixing 2​Sβ†’2​Pβ†’2𝑆2𝑃2S\rightarrow 2P or to end up in the 2​S2𝑆2S state with kinetic energy below the threshold with probability f​(T)𝑓𝑇f(T). Figure 5 shows the rates, Ξ»2​lβ†’2​lβ€²=N0​v​σ2​lβ†’2​lβ€²subscriptπœ†β†’2𝑙2superscript𝑙′subscript𝑁0𝑣subscriptπœŽβ†’2𝑙2superscript𝑙′\lambda_{2l\rightarrow 2l^{\prime}}=N_{0}v\sigma_{2l\rightarrow 2l^{\prime}}, for the collisional transitions in liquid hydrogen in comparison with the radiative deexcitation rate Ξ»2​Pβ†’1​Ssubscriptπœ†β†’2𝑃1𝑆\lambda_{2P\to 1S}. In liquid hydrogen the Stark mixing rates are so large that the μ​pπœ‡π‘\mu p states are expected to be statistically populated for kinetic energies Tβ‰₯2𝑇2T\geq 2\;eV (where threshold effects can be neglected).

Figure 6 shows the surviving fraction f​(T)𝑓𝑇f(T) calculated with the Monte Carlo program for target density 10βˆ’6<N/N0<10βˆ’2superscript106𝑁subscript𝑁0superscript10210^{-6}<N/N_{0}<10^{-2}. The approximation (16) gives somewhat higher values for the survival probability than the exact kinetics calculation at T<1.4𝑇1.4T<1.4\;eV. The Monte Carlo results at high energies (T>1.5𝑇1.5T>1.5\;eV) are significantly larger than those obtained from Eq. (16) where continuous energy loss is assumed. The reason is that the backward scattering (see Fig. 4) with maximum possible energy loss plays an important role in bringing the (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} atoms below the 2​P2𝑃2P threshold for higher energies.

Figure 6: The metastable surviving fraction f​(T)𝑓𝑇f(T) of the (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} states vs. initial kinetic energy T𝑇T. The thick and thin solid lines show the results of Monte Carlo calculations with Mtarget=MHsubscript𝑀targetsubscript𝑀HM_{\mathrm{target}}=M_{\rm H} and Mtarget=MH2subscript𝑀targetsubscript𝑀subscriptH2M_{\mathrm{target}}=M_{\rm H_{2}}, respectively. The dotted line shows the result of Carboni and Fiorentini [6] and the long-dashed line shows f​(T)𝑓𝑇f(T) calculated using the method of Ref. [6] (Eq. (16)) with our cross sections. The results are valid for densities N≀10βˆ’2​N0𝑁superscript102subscript𝑁0N\leq 10^{-2}N_{0}.

In order to estimate the theoretical uncertainty of f​(T)𝑓𝑇f(T) we performed the Monte Carlo calculation with the cross sections obtained in the dipole approximation. In all cases the Monte Carlo calculations are consistent with the results corresponding to the exact potential: at 2 eV the surviving fraction is in the range 15βˆ’20%15percent2015-20\% for atomic target mass and 10βˆ’16%10percent1610-16\% for molecular target mass. The use of the target mass MHsubscript𝑀HM_{\rm H} instead of MH2subscript𝑀subscriptH2M_{\rm H_{2}} leads to somewhat higher survival fractions because of a simple kinematical reason: the loss of kinetic energy in a collision with the same angle in the CMS is larger for the target of smaller mass and, furthermore, the inelastic threshold is higher for the scattering from the atomic target. Merely substituting the atomic mass with the molecular mass for the hydrogen target does not account for the additional energy loss due to rotational and vibrational excitations of H2. One would therefore expect that the slowing down process is more efficient than this model suggests and the survival probability calculated with molecular target mass is underestimated. The opposite is true for calculations with atomic target: here the transfer of kinetic energy from the μ​pπœ‡π‘\mu p to the individual hydrogen atoms is not restricted by molecular bindings. Thus results with atomic target probably give somewhat optimistic results for the surviving fraction.

5 Conclusion

The main results of this paper can be summarized as follows. The detailed Monte Carlo kinetics calculations predict the surviving metastable fraction of the 2​S2𝑆2S state of μ​pπœ‡π‘\mu p to be larger than 50%percent5050\% for the initial kinetic energy 1 eV in agreement with earlier estimates [6]. For higher initial kinetic energies, our result is significantly larger than the earlier estimates: the surviving metastable fraction for T=5𝑇5T=5 eV is about 4%percent44\%. This effect is due to a sizeable contribution of backward scattering in elastic collisions.

Our Monte Carlo calculations are based on the cross sections calculated in the coupled-channel approximation. The main limitation of this method for the problem concerned comes from the use of a small number of atomic states to describe the μ​pπœ‡π‘\mu p system and the neglect of the molecular structure of the target. A more accurate treatment of the μ​p​pπœ‡π‘π‘\mu pp three body problem is needed in order to do reliable calculations for a few lowest partial wave amplitudes. Our approach, however, is well suited for the description of the collisions with the characteristic scale of impact parameters of the order of a0subscriptπ‘Ž0a_{0} which is exactly the case for the problem involved. Therefore our results provide a significantly improved basis for a better estimate of the metastable (μ​p)2​Ssubscriptπœ‡π‘2𝑆(\mu p)_{2S} fraction [21] which is very important for the planned Lamb–shift experiment at PSI [1].

Further details and more results concerning the scattering of the μ​pπœ‡π‘\mu p atoms in the excited states nβ‰₯2𝑛2n\geq 2 will be published elsewhere.

Acknowledgement

We thank P. Hauser, F. Kottmann, L. Simons, D. Taqqu, and R. Pohl for fruitful and stimulating discussions and M.P. Locher for useful comments.

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