Calculating excited state properties using Kohn-Sham density functional theory.
about
Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin.Interaction of the NO 3pπ Rydberg state with Ar: potential energy surfaces and spectroscopy.Modelling excited states of weakly bound complexes with density functional theory.A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states.Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates.
P2860
Calculating excited state properties using Kohn-Sham density functional theory.
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Calculating excited state properties using Kohn-Sham density functional theory.
@en
Calculating excited state properties using Kohn-Sham density functional theory.
@nl
type
label
Calculating excited state properties using Kohn-Sham density functional theory.
@en
Calculating excited state properties using Kohn-Sham density functional theory.
@nl
prefLabel
Calculating excited state properties using Kohn-Sham density functional theory.
@en
Calculating excited state properties using Kohn-Sham density functional theory.
@nl
P2860
P356
P1476
Calculating excited state properties using Kohn-Sham density functional theory.
@en
P2093
Magnus W D Hanson-Heine
Michael W George
P2860
P304
P356
10.1063/1.4789813
P407
P577
2013-02-01T00:00:00Z