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Title
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Exact density matrix for a two-electron model atom and approximate proposals for realistic two-electron systems
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Author
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Abstract
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| Moshinsky introduced an exactly soluble model of a two-electron atom consisting of two spin-1/2 particles interacting via harmonic forces and moving in a harmonic-oscillator potential. Here, the exact ground-state density rho(r) is related to the (also analytically known) Hartree-Fock density rho(HF)(r). The generalization to the off-diagonal matrix gamma(r,r(')) is then effected, this being related to the idempotent gamma(HF)(r,r('))/2. This exact information on this "model atom" prompts us to propose an approximate form of gamma(r,r(')) for the He-like ions, the H-2 molecule and, in general, all two-electron systems. gamma(r,r(')) is constructed solely from the exact rho(r) and its Hartree-Fock counterpart. Some detailed treatment of the two-electron Hookean atom with spring constant k=1/4 (atomic units) is also presented. |
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Language
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English
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Source (journal)
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Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
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Publication
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Lancaster, Pa
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2003
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ISSN
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1094-1622
[online]
1050-2947
[print]
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DOI
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10.1103/PHYSREVA.67.022509
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Volume/pages
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67
:2
(2003)
, p. 1-6
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Article Reference
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022509
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ISI
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000181361200054
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Medium
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E-only publicatie
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Full text (Publisher's DOI)
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Full text (open access)
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