Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory.
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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.Optical properties of acene molecules and pentacene crystal from the many-body Green's function method.Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green's Functions Theory.Excited state geometry of photoactive yellow protein chromophore: a combined conductorlike polarizable continuum model and time-dependent density functional study.Effect of microhydration on the electronic structure of the chromophores of the photoactive yellow and green fluorescent proteins.The effect of oxidation on the electronic structure of the green fluorescent protein chromophore.Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore.The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.Electron density deformations provide new insights into the spectral shift of rhodopsins.Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach.Tuning the electronic and optical properties of NDT-based conjugated polymers by adopting fused heterocycles as acceptor units: a theoretical study.Getting excited: challenges in quantum-classical studies of excitons in polymeric systems.Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT.Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel.Helium Atom Excitations by the GW and Bethe-Salpeter Many-Body Formalism.Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory.Quantum mechanical/molecular mechanical/continuum style solvation model: time-dependent density functional theory.Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach.Charge-transfer excited states in aqueous DNA: Insights from many-body Green's function theory.Assessment of the convergence of partially self-consistent BSE/GW calculationsA First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper SpectraSolvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory
P2860
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P2860
Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Modeling the Excited States of ...... -Body Green's Function Theory.
@en
type
label
Modeling the Excited States of ...... -Body Green's Function Theory.
@en
prefLabel
Modeling the Excited States of ...... -Body Green's Function Theory.
@en
P2093
P356
P1476
Modeling the Excited States of ...... -Body Green's Function Theory.
@en
P2093
Carla Molteni
Michael Rohlfing
P304
P356
10.1021/CT900528H
P577
2009-11-02T00:00:00Z