Publication Abstracts

Wilson 1978

Wilson, S., 1978: Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies. Comput. Phys. Commun., 14, 91-98, doi:10.1016/0010-4655(78)90052-8.

In addition to providing an attractive description of electron correlation effects in atoms and molecules, the diagrammatic many-body perturbation expansion through third-order in the energy forms the basis of a non-iterative and computationally efficient algorithm for electronic structure calculations to an accuracy beyond that afforded by the Hartree-Fock independent electron model. In this paper a program for calculating the third-order hole-particle, or ring, energy is presented. Programs for calculating the second-order energy and third-order hole-hole and particle-particle energies have been described in a previous paper. The evaluation of all terms through third-order enables an upper bound to the energy to be obtained and the [2/1] Padé approximant to the energy constructed. The latter has certain desir- able invariance properties which are not shared by the usual Taylor series.

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BibTeX Citation

@article{wi09200l,
  author={Wilson, S.},
  title={Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies},
  year={1978},
  journal={Comput. Phys. Commun.},
  volume={14},
  pages={91--98},
  doi={10.1016/0010-4655(78)90052-8},
}

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RIS Citation

TY  - JOUR
ID  - wi09200l
AU  - Wilson, S.
PY  - 1978
TI  - Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies
JA  - Comput. Phys. Commun.
VL  - 14
SP  - 91
EP  - 98
DO  - 10.1016/0010-4655(78)90052-8
ER  -

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