Benchmark full configuration‐interaction calculations on HF and NH2-Reference-Cited by-同舟云学术

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Benchmark full configuration‐interaction calculations on HF and NH2

Published:1986-08 Issue:3 Volume:85 Page:1469-1474
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bauschlicher Charles W.,Langhoff Stephen R.,Taylor Peter R.,Handy Nicholas C.,Knowles Peter J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.451238

Reference15 articles.

1. A new direct CI method for large CI expansions in a small orbital space

2. A new determinant-based full configuration interaction method

3. Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water

4. Full CI calculations on BH, H2O, NH3, and HF

5. Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations

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