On the Proper Normalization Constraint
作者:
Tse‐Chiang Chang,
期刊:
Journal of the Chinese Chemical Society
(WILEY Available online 1985)
卷期:
Volume 32,
issue 1
页码: 1-4
ISSN:0009-4536
年代: 1985
DOI:10.1002/jccs.198500001
出版商: WILEY‐VCH Verlag
关键词: Variational method;SCF method;EIL method
数据来源: WILEY
摘要:
AbstractIn the variational optimization of a trial function the proper functional to be varied is the Rayleigh quotient with the normalization constraint explicitly imposed. It will be shown that only under certain very rigorous conditions can one use the energy functional to replace the Rayleigh quotient and that, therefore, the normalization constraint is by no means a matter of no consequence.
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