Publication Abstracts
Wilson 1977
Wilson, S., 1977: Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule. Int. J. Quantum. Chem., 12, 609-622, doi:10.1002/qua.560120403.
Diagrammatic many-body perturbation theory is used to calculate the potential energy function for the Χ1Σ+ state of the CO molecule near the equilibrium nuclear configuration. Spectroscopic constants are derived from a number of curves which are obtained from calculations taken through third order in the energy. By forming [2/1] Padé approximants to the constants we obtain: re = 1.125 Å (1.128 Å), Be = 1.943 cm-1 (1.9312 cm-1), αeB = 0.0156 cm-1 (0.0175 cm-1), ωe = 2247 cm-1 (2170 cm-1), ωexee = 12.16 cm-1 (13.29 cm-1), where the experimental values are given in parenthesis.
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BibTeX Citation
@article{wi00200p,
author={Wilson, S.},
title={Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule},
year={1977},
journal={International Journal of Quantum Chemistry},
volume={12},
pages={609--622},
doi={10.1002/qua.560120403},
}
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RIS Citation
TY - JOUR ID - wi00200p AU - Wilson, S. PY - 1977 TI - Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule JA - Int. J. Quantum. Chem. JO - International Journal of Quantum Chemistry VL - 12 SP - 609 EP - 622 DO - 10.1002/qua.560120403 ER -
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