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Journal of Chemical Theory and Computation|July 28, 2021
Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho ChoiJournal of Chemical Theory and Computation|May 19, 2020
Computation of Molecular Ionization Energies Using an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho ChoiThe Journal of Physical Chemistry Letters|May 13, 2021
Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional TheorySeunghoon Lee, Yevhen Horbatenko, Michael Filatov, et al.Journal of Chemical Theory and Computation|January 4, 2021
How Beneficial Is the Explicit Account of Doubly-Excited Configurations in Linear Response Theory?Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.The Journal of Chemical Physics|September 17, 2018
Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrixSeunghoon Lee, Michael Filatov, Sangyoub Lee, et al.The Journal of Physical Chemistry. A|August 23, 2019
Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy GapsYevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.The Journal of Physical Chemistry. A|September 9, 2020
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Hiroya Nakata, et al.The Journal of Physical Chemistry. A|July 9, 2019
Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin-Flip TD-DFTSeunghoon Lee, Svetlana Shostak, Michael Filatov, et al.International Journal of Molecular Sciences|April 30, 2021
Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Hiroya Nakata, et al.Physical Chemistry Chemical Physics : PCCP|July 28, 2020
Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory methodMichael Filatov, Seunghoon Lee, Hiroya Nakata, et al.Pageof 45