Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size. (2021)

First Author: Hele TJH
Attributed to:  Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0052247

PubMed Identifier: 34241372

Publication URI: http://europepmc.org/abstract/MED/34241372

Type: Journal Article/Review

Volume: 154

Parent Publication: The Journal of chemical physics

Issue: 24

ISSN: 0021-9606