The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom

Citation
Nh. March et al., The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom, CHEM P LETT, 325(5-6), 2000, pp. 645-647
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
325
Issue
5-6
Year of publication
2000
Pages
645 - 647
Database
ISI
SICI code
0009-2614(20000804)325:5-6<645:TWWASE>2.0.ZU;2-1
Abstract
For a specific force constant, the spatial form of the ground-state wavefun ction Psi(r(1),r(2)) is known analytically for the Hookean atom in which tw o electrons repel coulombically. Hen, it is first shown that the wavefuncti on Psi(r,r) for the antiparallel spin electrons at the same position r is s ufficient to construct the ground-state density in this model example. An o ff-diagonal generalization is then effected, which relates the one-particle density matrix to the electron pair correlation function, again for this s ame model. (C) 2000 Elsevier Science B.V. All rights reserved.