Pulay forces from localized orbitals optimized in situ using a psinc basis set. (2012)
Attributed to:
Support for the UK Car-Parrinello Consortium
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.4728026
PubMed Identifier: 22779575
Publication URI: http://europepmc.org/abstract/MED/22779575
Type: Journal Article/Review
Volume: 136
Parent Publication: The Journal of chemical physics
Issue: 23
ISSN: 0021-9606