Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach. (2019)

First Author: Ratcliff LE
Attributed to:  Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.8b11310

PubMed Identifier: 31063395

Publication URI: http://europepmc.org/abstract/MED/31063395

Type: Journal Article/Review

Volume: 123

Parent Publication: The journal of physical chemistry. A

Issue: 20

ISSN: 1089-5639