Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods (2017)

First Author: Lee S
Attributed to:  Embedded mean-field theory: chemical simulation in complex environments funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.cplett.2017.04.059

Publication URI: http://dx.doi.org/10.1016/j.cplett.2017.04.059

Type: Journal Article/Review

Parent Publication: Chemical Physics Letters

ISSN: 0009-2614