Publication
Title
Exact density matrix for a two-electron model atom and approximate proposals for realistic two-electron systems
Author
Abstract
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.
Language
English
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Publication
Lancaster, Pa : 2003
ISSN
1094-1622 [online]
1050-2947 [print]
Volume/pages
67:2(2003), p. 1-6
Article Reference
022509
ISI
000181361200054
Medium
E-only publicatie
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 25.06.2017
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