Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2 - Wikidata - awgldk - TriplyDB

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

http://www.wikidata.org/entity/Q27301345

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TD-DFT calculations of one- and two-photon absorption in Coumarin C153 and Prodan: attuning theory to experiment.

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

http://www.wikidata.org/entity/Q27301345

description

2016 nî lūn-bûn

@nan

2016 թուականի Օգոստոսին հրատարակուած գիտական յօդուած

@hyw

2016 թվականի օգոստոսին հրատարակված գիտական հոդված

@hy

2016年の論文

@ja

2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

@wuu

name

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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type

label

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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prefLabel

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

@ast

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

@en

Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

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ACS.JCTC.6B00498

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Journal of Chemical Theory and Computation

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Excited-State Dipole and Quadrupole Moments: TD-DFT versus CC2

@en

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Development of density functionals for thermochemical kinetics

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry.

On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic molecules.

Taking up the cyanine challenge with quantum tools.

P304

3993-4003

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scholarly article

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10.1021/ACS.JCTC.6B00498

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8

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12

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Denis Jacquemin

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2016-08-09T00:00:00Z

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27385324

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4980690

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