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Gaussian wave functions for CH3 and NH

โœ Scribed by R. E. Kari; I. G. Csizmadia


Book ID
104578157
Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
239 KB
Volume
6
Category
Article
ISSN
0020-7608

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## Abstract Wave functions expressed as antisymmetrized products of strongly orthogonal geminals have been evaluated for H~2~O, NH~3~ and CH~4~. The geminals have been expressed as linear combinations of 2 ร— 2 detors constructed with localized SCFโ€MO's. Several ground state observables have been co