Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.

Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.

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http://www.wikidata.org/entity/Q50661999
Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.Exploring the excited state behavior for 2-(phenyl)imidazo[4,5-c]pyridine in methanol solvent.Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations.Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene.Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules.σ-Hammett parameter: a strategy to enhance both photo- and electro-luminescence features of heteroleptic copper(i) complexes.
P2860

Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.

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http://www.wikidata.org/entity/Q50661999
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年学术文章
@wuu
2016年学术文章
@zh
2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
@zh-hant
name
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@en
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@nl
type
label
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@en
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@nl
prefLabel
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@en
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@nl
P1433
P1476
P2093
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
Beyond Time-Dependent Density ...... ted States in Complex Systems.
@en
P2093
P304
P31
P356
10.1021/ACS.ACCOUNTS.6B00047
P407
P433
P478
P50
P577
P698