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Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism File

Filatov, Michael , Liu, Fang , Martinez, Todd J.

Article Issue Date2017-07 View84
Description of ground and excited electronic states by ensemble density functional method with extended active space File

Filatov, Michael , Martínez, Todd J. , Kim, Kwang S.

Article Issue Date2017-08 View93
Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2018-09 View228
Impact of solvation on the photoisomerisation dynamics of a photon-only rotary molecular motor File File

Filatov(Gulak), Michael , Paolino, Marco , Kaliakin, Danil , Olivucci, Massimo , Kraka, Elfi , Min, Seung Kyu

Article Issue Date2024-07 View119
Implications of the edge states for the band structure of armchair graphene nanoribbons File

Filatov, Michael , Pomogaeva, Anna , Min, Seung Kyu

Article Issue Date2025-04 View123
Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2019-06 View191
Progress toward a formulation of density-functional theory for matrix representations File

Filatov(Gulak), Michael , Min, Seung Kyu

Article Issue Date2025-06 View58
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone File

Filatov, Michael , Min, Seung Kyu , Choi, Cheol Ho

Article Issue Date2019-02 View66
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