Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.
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A new energy transfer channel from carotenoids to chlorophylls in purple bacteria.Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set.GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment.Properties of reactive oxygen species by quantum Monte Carlo.The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.Tuning the electronic and optical properties of NDT-based conjugated polymers by adopting fused heterocycles as acceptor units: a theoretical study.Quantum Monte Carlo with density matrix: potential energy curve derived properties.Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT.Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids.Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory.Large-Scale Quantum Many-Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor-Acceptor Hybrid PBI-Macrocycle Complex.Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach.
P2860
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P2860
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
@zh
2014年论文
@zh-cn
name
Ab Initio Geometry and Bright ...... ory Calculations on Peridinin.
@en
type
label
Ab Initio Geometry and Bright ...... ory Calculations on Peridinin.
@en
prefLabel
Ab Initio Geometry and Bright ...... ory Calculations on Peridinin.
@en
P2860
P356
P1476
Ab Initio Geometry and Bright ...... eory Calculations on Peridinin
@en
P2093
Emanuele Coccia
P2860
P304
P356
10.1021/CT400943A
P577
2014-01-14T00:00:00Z