A new measure of orbital localiwbility is proposed. The actual improvement in classical electrostatic interpretations of elcctronie energy contributions on localization of CHg, NH3, H20, NF and NC LCAO wavefunctions is computed to be small. Substantial vttlence LMO spztiat overlappiq remains. A Borg
β¦ LIBER β¦
On the localized nature of FSGO wavefunctions
β Scribed by R.A. Suthers; J.W. Linnett
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 504 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0009-2614
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