ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A hydrogen molecule near a hard wall was considered within the Heiteler-London method using the atomic orbits in the presence of the wall. Rapidly converging expansions of the atomic wave functions were proposed. The asymptotics were obtained and studied. The atomic dipole moment induced by the surface gave rise to a long-range interatomic interaction. The covalent bond length increased near the wall. Depending on the orientation relative to the wall, the potential well can vanish. It is interpreted as an interaction between the atomic dipole moments. An approximation of the interatomic potential was proposed.
Additional Material:
9 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560420206
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