Publication Abstracts
Wilson 1977
Wilson, S., 1977: Diagrammatic perturbation theory. The ground state of the carbon monosulfide molecule. J. Chem. Phys., 67, 4491-4497, doi:10.1063/1.434590.
Diagrammatic many-body perturbation theory is employed in a study of the ground state of the carbon monosulfide molecule for bond lengths close to the equilibrium value. The calculations are complete through third order in the energy within the algebraic approximation. Two different zero-order Hamiltonians are considered and all two-, three-, and four- body terms are determined for the corresponding perturbation expansions. Many-body effects are found to be very important. Padé approximants to the energy expansion are constructed and upper bounds are evaluated. Almost 53% of the estimated correlation energy is recovered. The variation of components of the correlation energy with nuclear separation is investigated. Spectroscopic constants are also calculated.
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BibTeX Citation
@article{wi07100z, author={Wilson, S.}, title={Diagrammatic perturbation theory. The ground state of the carbon monosulfide molecule}, year={1977}, journal={Journal of Chemical Physics}, volume={67}, pages={4491--4497}, doi={10.1063/1.434590}, }
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RIS Citation
TY - JOUR ID - wi07100z AU - Wilson, S. PY - 1977 TI - Diagrammatic perturbation theory. The ground state of the carbon monosulfide molecule JA - J. Chem. Phys. JO - Journal of Chemical Physics VL - 67 SP - 4491 EP - 4497 DO - 10.1063/1.434590 ER -
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