Affordable Access

Publisher Website

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

There are no comments yet on this publication. Be the first to share your thoughts.

Statistics

Seen <100 times
0 Comments

More articles like this

Total-energy calculations for point defects in met...

on Physica B Condensed Matter Jan 01, 1991

The volume dependent total energy of metals and th...

on Solid State Communications Jan 01, 1975

Properties of bcc metals by tight-binding total en...

on Materials Science and Engineer... Jan 01, 2009
More articles like this..