Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD.
about
The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.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.The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.
P2860
Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 16 March 2017
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@en
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@nl
type
label
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@en
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@nl
prefLabel
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@en
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@nl
P2860
P1476
Is the Bethe-Salpeter Formalis ...... TD-DFT, CASPT2, and EOM-CCSD.
@en
P2093
Xavier Blase
P2860
P304
P356
10.1021/ACS.JPCLETT.7B00381
P577
2017-03-16T00:00:00Z