✦ LIBER ✦

Correlation energies from pseudo-potential calculations

✍ Scribed by B. Pittel; W.H.E. Schwarz

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 314 KB
Volume: 46
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)85176-2

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✦ Synopsis

I l Introduction

In pseudo-potential theory [1,2], the valence electrons only are explicitely treated quantum mechanically; the influence of the core electrons is simulated by a nonlocal pseudo-potential. The following molecular electronic pseudo-hamiltonian is then used:

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