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Atchity, Gregory J.; Ruedenberg, Klaus
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 97, Issue 1-4
https://doi.org/10.1007/s002140050236
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book
July 2004
The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings
journal
May 2015
Diabatic models with transferrable parameters for generalized chemical reactions
journal
April 2017
Diabatic and adiabatic representations: Electronic structure caveats
journal
March 2019
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
journal
January 2021