✦ LIBER ✦

The frozen core approximation in solid state and molecular calculations

✍ Scribed by E.C. Snow; J.H. Wood

Book ID: 103012817
Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 275 KB
Volume: 25
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80345-3

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✦ Synopsis

Total energies. from a self-consistent APW calculation on copper, ore determined using two choices of core configuration. These energies are com'p8ed to the equivalent atomic energies to evaluate the validity of the "frozen" core approsimation.

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