MCSCF–CI calculations of the ground state potential curves of LiH, Li2, and F2-Reference-Cited by-同舟云学术

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MCSCF–CI calculations of the ground state potential curves of LiH, Li2, and F2

Published:1981-04-15 Issue:8 Volume:74 Page:4566-4575
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Jönsson Bo,Roos Björn O.,Taylor Peter R.,Siegbahn Per E. M.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.441645

Reference43 articles.

1. PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides

2. PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides

3. The quartic force field of H2O determined by many‐body methods that include quadruple excitation effects

4. Multiple substitution effects in configuration interaction calculations

5. PNO–CI (pair‐natural‐orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. IV. The molecules N2, F2, C2H2, C2H4, and C2H6

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