✦ LIBER ✦

Some comments on the general Hartree—Fock method

✍ Scribed by István Mayer; Per-Olov Löwdin

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 553 KB
Volume: 202
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85341-k

No coin nor oath required. For personal study only.

✦ Synopsis

A study is made of the general Hartree-Fock (GHF) method, in which the basic spin-orbitals may be mixtures of functions having (Y andp spins. The existence of the solutions to the GHF equations has been proven by Lieb and Simon, and the nature of the various types of solutions has been group theoretically classified by Fukutome. Some numerical applications using Gaussian bases are carried out for some simple systems: the beryllium and carbon atoms and the BH molecule. Some GHF solutions of the general Fukutome-type "torsional spin density waves" (TSDW) were found.

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