Convergence of Time-Derivative Nonadiabatic Couplings in Plane-Wave DFT Calculations

Journal article

Peer reviewed

Convergence of Time-Derivative Nonadiabatic Couplings in Plane-Wave DFT Calculations

Alva D. Dillon and Rebecca L. M. Gieseking

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory

11/04/2023

DOI: https://doi.org/10.1021/acs.jpca.3c04858

PMID: 37924298

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Title: Convergence of Time-Derivative Nonadiabatic Couplings in Plane-Wave DFT Calculations
Creators: Alva D. Dillon - Brandeis University
Rebecca L. M. Gieseking - Brandeis University
Publication Details: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
Identifiers: 9924298636901921
Academic Unit: Department of Chemistry
Language: English
Resource Type: Journal article