Some comments on the stability of Cu3: Ab initio self-consistent-field molecular-orbital calculations

G. Del Conde; P.S. Bagus; O. Novaro

doi:10.1103/PhysRevB.25.7843

Physical Review B

Paper

15 Jun 1982

Some comments on the stability of Cu3: Ab initio self-consistent-field molecular-orbital calculations

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Abstract

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.

Conference paper