analytic_spc.zip (91.56 MB)

Research data for "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets"

Name: Research data for "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets"
Published: 2022-09-13T13:42:17+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Computational Chemistry

dataset

posted on 2022-09-13, 13:42 authored by Nicholas ChiltonNicholas Chilton

All research data for the paper "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets".

Contains: atomic coordinates, spin-phonon coupling parameters, input/output files for calculations.