📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

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