Construction of Quasi-diabatic Hamiltonians That Accurately Represent ab Initio Determined Adiabatic Electronic States Coupled by Conical Intersections for Systems on the Order of 15 Atoms. Application to Cyclopentoxide Photoelectron Detachment in the Full 39 Degrees of Freedom

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Title
Construction of Quasi-diabatic Hamiltonians That Accurately Represent ab Initio Determined Adiabatic Electronic States Coupled by Conical Intersections for Systems on the Order of 15 Atoms. Application to Cyclopentoxide Photoelectron Detachment in the Full 39 Degrees of Freedom
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume -, Issue -, Pages -
Publisher
American Chemical Society (ACS)
Online
2020-05-07
DOI
10.1021/acs.jpca.0c02763

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