Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction. (2022)
Attributed to:
A Joined-up Approach to New Molecular Simulation Technologies to Harness Ultrafast Photochemistry
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