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UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
Konstantin Komarov
, Minseok Oh
, Hiroya Nakata
, Seunghoon Lee
,
Cheol Ho Choi
* KNU Scholar Award Recipients
Department of Chemistry
Educational Research Center for Innovative Chemical Materials
Green-Nano Materials Research Center
Pohang University of Science and Technology
Seoul National University
Kyoto University
Research output
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Contribution to journal
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Article
›
peer-review
7
Scopus citations
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Chemistry
Time-Dependent Density Functional Theory
100%
Relaxation
40%
Hydrogen Fluoride
20%
Ground State
20%
Density Functional Theory
20%
Excited State
20%
Molecular Orbital
20%