Accurately solving the electronic Schrödinger equation of small atoms and molecules using explicitly correlated (r12-)MR-CI. VIII. Valence excited states of methylene (CH2)-Reference-Cited by-同舟云学术

Accurately solving the electronic Schrödinger equation of small atoms and molecules using explicitly correlated (r12-)MR-CI. VIII. Valence excited states of methylene (CH2)

Published:2005-10-08 Issue:14 Volume:123 Page:144316
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Flores Jesús R.,Gdanitz Robert J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2055207

Reference56 articles.

1. On the1A1–3B1separation in CH2and SiH2

2. Theoretical assignment of the visible spectrum of singlet methylene

3. Gaussian basis sets for use in correlated molecular calculations. V. Core‐valence basis sets for boron through neon

4. Full configuration interaction benchmarks for the states of methylene

5. Structures and vibrational frequencies in the full configuration interaction limit: Predictions for four electronic states of methylene using a triple-zeta plus double polarization (TZ2P) basis

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