The Stability and structure of Li+Ps2 and Na+Ps2

James Mitroy; G. G. Ryzhikh

doi:10.1088/0953-4075/32/21/102

The Stability and structure of Li+Ps2 and Na+Ps2

James Mitroy, G. G. Ryzhikh

Research output: Contribution to journal › Comment/debate

Abstract

The fixed-core stochastic variational method has been used to demonstrate the existence of an electronically stable ground state for the Li+Ps2 and Na+Ps2 systems. The stability of Li+Ps2 has been indicated previously in an ab initio calculation by Varga, but the present estimate of the binding energy is much closer to convergence. The Li+Ps2 system has a binding energy of 0.013 149 Hartree and a 2 annihilation rate of 3.86 ? 109 s-1. The Na+Ps2 system has a binding energy of 0.005 736 Hartree and an annihilation rate of 4.02 ? 109 s-1. Examination of the interparticle expectation values, correlation functions and the annihilation rates suggests that both of these systems can be best described as a Ps2 molecule weakly bound to an alkali atom cation.

Original language	English
Pages (from-to)	621-628
Number of pages	8
Journal	Journal of Physics B: Atomic, Molecular and Optical Physics
Volume	32
Issue number	21
DOIs	https://doi.org/10.1088/0953-4075/32/21/102
Publication status	Published - 1999

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title = "The Stability and structure of Li+Ps2 and Na+Ps2",

abstract = "The fixed-core stochastic variational method has been used to demonstrate the existence of an electronically stable ground state for the Li+Ps2 and Na+Ps2 systems. The stability of Li+Ps2 has been indicated previously in an ab initio calculation by Varga, but the present estimate of the binding energy is much closer to convergence. The Li+Ps2 system has a binding energy of 0.013 149 Hartree and a 2 annihilation rate of 3.86 ? 109 s-1. The Na+Ps2 system has a binding energy of 0.005 736 Hartree and an annihilation rate of 4.02 ? 109 s-1. Examination of the interparticle expectation values, correlation functions and the annihilation rates suggests that both of these systems can be best described as a Ps2 molecule weakly bound to an alkali atom cation.",

author = "James Mitroy and Ryzhikh, {G. G.}",

year = "1999",

doi = "10.1088/0953-4075/32/21/102",

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pages = "621--628",

journal = "Journal of Physics B: Atomic, Molecular and Optical Physics",

issn = "0953-4075",

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TY - JOUR

T1 - The Stability and structure of Li+Ps2 and Na+Ps2

AU - Mitroy, James

AU - Ryzhikh, G. G.

PY - 1999

Y1 - 1999

N2 - The fixed-core stochastic variational method has been used to demonstrate the existence of an electronically stable ground state for the Li+Ps2 and Na+Ps2 systems. The stability of Li+Ps2 has been indicated previously in an ab initio calculation by Varga, but the present estimate of the binding energy is much closer to convergence. The Li+Ps2 system has a binding energy of 0.013 149 Hartree and a 2 annihilation rate of 3.86 ? 109 s-1. The Na+Ps2 system has a binding energy of 0.005 736 Hartree and an annihilation rate of 4.02 ? 109 s-1. Examination of the interparticle expectation values, correlation functions and the annihilation rates suggests that both of these systems can be best described as a Ps2 molecule weakly bound to an alkali atom cation.

AB - The fixed-core stochastic variational method has been used to demonstrate the existence of an electronically stable ground state for the Li+Ps2 and Na+Ps2 systems. The stability of Li+Ps2 has been indicated previously in an ab initio calculation by Varga, but the present estimate of the binding energy is much closer to convergence. The Li+Ps2 system has a binding energy of 0.013 149 Hartree and a 2 annihilation rate of 3.86 ? 109 s-1. The Na+Ps2 system has a binding energy of 0.005 736 Hartree and an annihilation rate of 4.02 ? 109 s-1. Examination of the interparticle expectation values, correlation functions and the annihilation rates suggests that both of these systems can be best described as a Ps2 molecule weakly bound to an alkali atom cation.

U2 - 10.1088/0953-4075/32/21/102

DO - 10.1088/0953-4075/32/21/102

M3 - Comment/debate

SN - 0953-4075

VL - 32

SP - 621

EP - 628

JO - Journal of Physics B: Atomic, Molecular and Optical Physics

JF - Journal of Physics B: Atomic, Molecular and Optical Physics

IS - 21

ER -

The Stability and structure of Li+Ps2 and Na+Ps2

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