Computed self‐consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B2, C2, N2, O2, F2, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions-Reference-Cited by-同舟云学术

Computed self‐consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B2, C2, N2, O2, F2, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions

Published:1992-12 Issue:11 Volume:97 Page:8459-8464
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

McLean A. D.,Liu B.,Chandler G. S.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.463417

Reference6 articles.

1. Full configuration‐interaction benchmark calculations for AlH

2. Accurateabinitiocalculations which demonstrate a3Πuground state for Al2

3. Theoretical study of the dipole moment function of OH(X 2Π)

4. Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

5. Roothaan-Hartree-Fock atomic wavefunctions

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