Interaction energy between two ground-state helium atoms using many-body perturbation theory
- 1 April 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 21 (4) , 1106-1117
- https://doi.org/10.1103/physreva.21.1106
Abstract
Diagrammatic many-body perturbation theory is applied to the calculation of potential-energy curves for . Both model and shifted perturbative procedures are described. The shifted scheme produces a spurious dependence for the long-range interatomic potential in both second and third order. Variational-perturbative upper-bound methods produce energies that approach an incorrect asymptotic limit at large internuclear distances. In contrast, the model-perturbative scheme in both second and third order achieves a proper distance dependence for the potential curve. Four basis sets are employed to illustrate basis-set effects.
Keywords
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