Graph-based quantum response theory and shadow Born-Oppenheimer molecular dynamics

Journal article

The Journal of Chemical Physics, Vol.158(7)

02/21/2023

Abstract and subjects

Atomic & Molecular Physics(74)

Classical & Quantum Mechanics, General Physics(71)

Mathematics & Computing(97)

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Title: Graph-based quantum response theory and shadow Born-Oppenheimer molecular dynamics
Authors/Creators - name: Anders Mauritz Niklasson
Christian Francisco Andres Negre
Michael E. Wall
Publication Details: The Journal of Chemical Physics, Vol.158(7)
Number of pages: 25
Government Number: LA-UR-22-32368
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1063/5.0137119
Publication ISSN: 1089-7690