Accession Number:

AD0421174

Title:

THE EXACT EXPANSION OF THE ELECTRONIC ENERGY OF ONE-ELECTRON DIATOMIC MOLECULES IN POWERS OF THE INTERNUCLEAR SEPARATION,

Descriptive Note:

Corporate Author:

WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Personal Author(s):

Report Date:

1963-09-23

Pagination or Media Count:

11.0

Abstract:

The exact expansion of the electronic energy of the ground state of one-electron diatomic molecules through the fourth order in powers of the internuclear separation is derived by using the methods introduced by Hylleraas 1931. It is thereby shown that the straightforward perturbation treatment of the electronic energy of molecules based on the united atom as given by Bingel 1959 leads to incorrect results for the third order coefficient. The exact fourth order coefficient is checked by using the Hellmann-Feynman theorem to relate the expansion to the well known formula for the electrostatic potential due to a hydrogen-like atom. Author

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Distribution Statement:

APPROVED FOR PUBLIC RELEASE