Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions-Reference-Cited by-同舟云学术

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

Published:1984-05-15 Issue:10 Volume:80 Page:5130-5140
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/10.1063/1.446584

Reference8 articles.

1. Many‐Electron Theory of Nonclosed‐Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

2. Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction

3. Multiple substitution effects in configuration interaction calculations

4. Roothaan-Hartree-Fock atomic wavefunctions

5. Theoretical prediction of the potential curves for the lowest‐lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the ab initio MRD‐CI method

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