📣 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.

Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction. (2022)

First Author: Coe JP

Attributed to: Dynamical Chemical Processes funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.2c00738

PubMed Identifier: 36198067

Publication URI: http://europepmc.org/abstract/MED/36198067

Type: Journal Article/Review

Volume: 18

Parent Publication: Journal of chemical theory and computation

Issue: 11

ISSN: 1549-9618