Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory

Oz, Annabelle; Nitzan, Abraham; Hod, Oded; Peralta, Juan E.

doi:10.1021/acs.jctc.3c00311

Title: Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory

Journal Article · 17 October 2023 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.3c00311 · OSTI ID:2202876

Oz, Annabelle ^[1];

^[2];

^[1];

^[3]

Department of Physical Chemistry, School of Chemistry, the Raymond and Beverly Sackler Faculty of Exact Sciences, and the Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv, 6997801, Israel
Department of Physical Chemistry, School of Chemistry, the Raymond and Beverly Sackler Faculty of Exact Sciences, and the Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv, 6997801, Israel, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19103, United States
Department of Physics, Central Michigan University, Mount Pleasant, Michigan 48859, United States

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Research Organization:: Tel Aviv University, Tel Aviv (Israel)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0005027

OSTI ID:: 2202876

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 21 Vol. 19; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory

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