Benchmarks for 0–0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data-Reference-Cited by-同舟云学术

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Benchmarks for 0–0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data

Published:2013 Issue:18 Volume:15 Page:6623-6630
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Winter Nina O. C.,Graf Nora K.,Leutwyler Samuel,Hättig Christof

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2013/CP/C2CP42694C

Reference72 articles.

1. The second-order approximate coupled cluster singles and doubles model CC2

2. Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

3. Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory

4. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

5. Beyond the random-phase approximation: A new approximation scheme for the polarization propagator

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