Exchange and Coulomb Energy of H2 Determined by Various Perturbation Methods

Four different types of perturbation theories for the exchange forces between two atoms are applied to the ground and first excited state of the hydrogen molecule at internuclear separations R = 4,6,8a0. The energy through second order and the expectation value of the Hamiltonian using the wavefunct...

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Veröffentlicht in:	The Journal of chemical physics 1968-07, Vol.49 (1), p.24-34
Hauptverfasser:	Certain, P. R., Hirschfelder, J. O., Kolos, W., Wolniewicz, L.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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