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Perturbational calculation of the exchange forces in the two lowest states of the hydrogen molecule

✍ Scribed by Lucjan Piela


Publisher
John Wiley and Sons
Year
1971
Tongue
English
Weight
639 KB
Volume
5
Category
Article
ISSN
0020-7608

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A perturbation calculation of the ground
✍ K.T. Tang; J.P. Toennies; C.L. Yiu; T. Δ†wiok; B. Jeziorski; W. KoΕ‚os; R. Moszyns πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 665 KB

The generalized Heitler-London theory has been implemented for a calculation of the ground state (X 'Cl ) potential of the Hz molecule at distances of R = 1.4 and 8.0 au. With the exact exchange energy and newly calculated accurate overlap integrals, convergence is achieved to better than 1% by expa