Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation. (2016)
Attributed to:
SI2-CHE: Development and Deployment of Chemical Software for Advanced Potential Energy Surfaces
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.4959125
PubMed Identifier: 27475350
Publication URI: http://europepmc.org/abstract/MED/27475350
Type: Journal Article/Review
Volume: 145
Parent Publication: The Journal of chemical physics
Issue: 4
ISSN: 0021-9606