VIBRATIONAL ANALYSIS OF THE HEITLER-LONDON POTENTIAL OF H$sub 2$
The vibrational levels associated with the HeitlerLondon potertial of H/ sub 2/ were found through use of the firstorder WBK approximation. The vibrational energies G as a function of quantum number nu are accurately represented by G = --D/sub o/(1--A nu -- B nu /sup 2/)/sup n/, where D/sup o/ is the Heitler-London dissociation energy and A, B, and n are parameters. The 4G curve has negative curvature at all nu . At high nu the vibrational levels show the rapid convergence characteristic of covalent molecules. The Heitler- London DELTA G curve has very nearly the same shape as the experimental curve for H/sub 2/; horizontally displaced to agree with experiment at low nu , the Heitler-- London DELTA G curve predicts a dissociation energy that is 93% of the experimental value. (auth)
- Research Organization:
- Georgetown Univ., Washington, D.C.
- Sponsoring Organization:
- USDOE
- NSA Number:
- NSA-17-035728
- OSTI ID:
- 4643532
- Journal Information:
- Journal of Chemical Physics (U.S.), Vol. Vol: 39; Other Information: Orig. Receipt Date: 31-DEC-63
- Country of Publication:
- Country unknown/Code not available
- Language:
- English
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