Semi-quantitative and semi-empirical ver
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I. B. Bersuker; S. S. Budnikov; B. A. Leizerov
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Article
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1977
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John Wiley and Sons
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English
⚖ 694 KB
## Abstract Quasi‐relativistic (QR) versions of the CNDO and Mulliken–Wolfsberg–Helmholz (MWH) semiempirical methods based on the SCF‐QR‐MO‐LCAO method given earlier are worked out. For the CNDO method only the basic formulas and matrix element expressions are given, while for the MWH one, the para