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The gradient of the total energy for metals

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
106
Issue
5
Identifiers
DOI: 10.1016/0009-2614(84)85336-1

Abstract

Abstract A new term occurs in the expression for the gradient of the total energy in Hartree-Fock theory with respect to the nuclear coordinates for systems wit

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