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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