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-Reference-Cited by-同舟云学术

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

Published:1998-01-15 Issue:3 Volume:108 Page:1040-1049
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sherrill C. David,Leininger Matthew L.,Van Huis Timothy J.,Schaefer Henry F.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.475465

Reference77 articles.

1. A new determinant-based full configuration interaction method

2. Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces

3. A vector and parallel full configuration interaction algorithm

4. Passing the one-billion limit in full configuration-interaction (FCI) calculations

5. A one billion determinant full CI benchmark on the Cray T3D

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