A procedure previousiy described for representin: Iarge basis SCFresultsin rerms of a smalicr floating spherical Gaussian orbital (FSGO) basis set is generalized IO apply to the virrual orbit& from 111~ SCF calculation. This provides 3 rnc~hod for systematically reducing the dimensions of the virtua
โฆ LIBER โฆ
Extended basis set studies of hydrocarbon molecular orbital energies
โ Scribed by J.S. Binkley; J.A. Pople; W.J. Hehre
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 553 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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