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Mulliken population analysis in CNDO and INDO LCAO–MO–SCF methods

✍ Scribed by Joyce J. Kaufman

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
174 KB
Volume
5
Category
Article
ISSN
0020-7608

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## 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