Fast Time-Dependent Density Functional Theory Calculations of the X-ray Absorption Spectroscopy of Large Systems. (2016)

First Author: Besley NA
Attributed to:  Computational X-ray Spectroscopy funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00656

PubMed Identifier: 27648835

Publication URI: http://europepmc.org/abstract/MED/27648835

Type: Journal Article/Review

Volume: 12

Parent Publication: Journal of chemical theory and computation

Issue: 10

ISSN: 1549-9618