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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)

First Author: Mao Y

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

Parent Publication: The Journal of Chemical Physics

Issue: 4

ISSN: 0021-9606