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Selected configuration interaction for high accuracy and compact wave functions: Propane as a case study. (2025)

First Author: Craciunescu L

Attributed to: A Joined-up Approach for New Molecular Simulation Technologies To Harness Ultrafast Photochemistry funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0233542

PubMed Identifier: 39812247

Publication URI: http://europepmc.org/abstract/MED/39812247

Type: Journal Article/Review

Volume: 162

Parent Publication: The Journal of chemical physics

Issue: 3

ISSN: 0021-9606