Comparison of perturbatively corrected energy results from multiple reference double‐excitation configuration‐interaction method calculations with exact full configuration‐interaction benchmark values-Reference-Cited by-同舟云学术

Comparison of perturbatively corrected energy results from multiple reference double‐excitation configuration‐interaction method calculations with exact full configuration‐interaction benchmark values

Published:1990-01 Issue:1 Volume:92 Page:585-596
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Knowles David B.,Alvarez‐Collado José Ramon,Hirsch Gerhard,Buenker Robert J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.458408

Reference44 articles.

1. A full CI treatment of Ne atom - a benchmark calculation performed on the NAS CRAY 2

2. Benchmark full configuration‐interaction calculations on HF and NH2

3. Benchmark full configuration‐interaction calculations on H2O, F, and F−

4. On the electron affinity of the oxygen atom

5. A full CI treatment of the 1A1–3B1 separation in methylene

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