Geometry optimization of solids using delocalized internal coordinates

By J. Andzelm, R. D. King-Smith, G. Fitzgerald. 2001

151 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/ecd48236bbfc0ae3b221bcc79bc9b3a9b298d8ba