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Electronic correlation studies. III. Self-correlated field method. Application to 2S ground state and 2P excited state of three-electron atomic systems

✍ Scribed by R. Lissillour; C. R. Guerillot

Publisher: John Wiley and Sons
Year: 1975
Tongue: English
Weight: 328 KB
Volume: 9
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560090405

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✦ Synopsis

Abstract

The self‐correlated field method is based on the insertion in the group product wave function of pair functions built upon a set of correlated “local” functions and of “nonlocal” functions. This work is an application to three‐electron systems. The effects of the outer electron on the inner pair are studied. The total electronic energy and some intermediary results such as pair energies, Coulomb and exchange “correlated” integrals, are given. The results are always better than those given by conventional SCF computations and reach the same level of accuracy as those given by more laborious methods used in correlation studies.

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Electronic correlation studies. II. Self

Electronic correlation studies. II. Self-correlated field method. Application to ground state and first 1P, 3P excited states of two-electron atomic systems

✍ C. R. Guerillot; R. Lissillour 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 590 KB

## Abstract An antisymmetric pair function can be built upon two kinds of monoelectronic functions, the former ones being correlated local functions and the second ones nonlocal functions taking external effects into account. This function, brought into the generalised product function procedure by