论文信息 - Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule

Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule

Diagrammatic many-body perturbation theory is used to calculate the potential energy function for the X1 σ+ 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] Pade approximants to the constants we obtain: re = 1.125 A (1.128 A), Be = 1.943 cm−1 (1.9312 cm−1), aBe = 0.0156 cm−1 (0.0175 cm−1), We = 2247 cm−1 (2170 cm−1), WeXe = 12.16 cm−1 (13.29 cm−1), where the experimental values are given in parenthesis.

Stephen Wilson

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