Some comments on the stability of Cu3: Ab initio self-consistent-field molecular-orbital calculations
Por:
Del Conde G., Bagus P.S., Novaro O.
Publicada:
1 ene 1982
Resumen:
The stability of a few configurations of the Cu3 molecule are studied at an ab initio self-consistent-field level using a double- basis set. Three-body nonadditive contributions to the interaction energy are reported. © 1982 The American Physical Society.
Filiaciones:
Del Conde G.:
Divisin de Estudios de Postgrado, Facultad de Quimica, Universidad Nacional Autonoma de México, 01000 México, D.F., Mexico
Bagus P.S.:
IBM Research Laboratory, San José, CA 95193, United States
Novaro O.:
Instituto de Física, Universidad Nacional Autonoma de México, A. P. 20-364, 01000 México, D.F., Mexico
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