Excited-state forces within a first-principles Green's function formalism.
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0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsA new energy transfer channel from carotenoids to chlorophylls in purple bacteria.Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set.Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms.Perspectives on external electric fields in molecular simulation: progress, prospects and challenges.Giant lattice expansion by quantum stress and universal atomic forces in semiconductors under instant ultrafast laser excitation.An atomistic description of the high-field degradation of dielectric polyethylene.Photoisomerization of azobenzene from first-principles constrained density-functional calculations.Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence.Optical response of small closed-shell sodium clusters.Neutral and charged excitations in carbon fullerenes from first-principles many-body theories.Transferable tight-binding model for strained group IV and III-V materials and heterostructuresTight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolutionEmpirical tight binding parameters for GaAs and MgO with explicit basis through DFT mappingGoing beyond the vertical approximation with time-dependent density functional theory
P2860
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P2860
Excited-state forces within a first-principles Green's function formalism.
description
2003 nî lūn-bûn
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2003年の論文
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name
Excited-state forces within a first-principles Green's function formalism.
@en
Excited-state forces within a first-principles Green's function formalism.
@nl
type
label
Excited-state forces within a first-principles Green's function formalism.
@en
Excited-state forces within a first-principles Green's function formalism.
@nl
prefLabel
Excited-state forces within a first-principles Green's function formalism.
@en
Excited-state forces within a first-principles Green's function formalism.
@nl
P2860
P1476
Excited-state forces within a first-principles Green's function formalism.
@en
P2093
Sohrab Ismail-Beigi
P2860
P304
P356
10.1103/PHYSREVLETT.90.076401
P407
P577
2003-02-19T00:00:00Z
P5875
P698
P818
cond-mat/0207248