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Operator equations in approximate molecular orbital theories

✍ Scribed by Karl Jug

Publisher: Springer
Year: 1972
Tongue: English
Weight: 296 KB
Volume: 26
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00529308

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📜 SIMILAR VOLUMES

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Funciamcn?ol inndequacics are elucidated in many current MO methods by consideration of the 'essential S~IUCtural elements' of the LCAO SCF Fock matrices. New guidelines are proposed for economization in near-ab-initio MO schemes, and r~ new balanced and quantitative MO formalism suitable for comple