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On the quantum properties of adsorbed particles within the model of a hydrogen atom near a hard wall
Author(s) -
Kovalenko A. F.,
Sovyak E. N.,
Holovko M. F.
Publication year - 1992
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560420206
Subject(s) - dipole , atom (system on chip) , hydrogen atom , wave function , moment (physics) , quantum , chemistry , atomic physics , molecule , molecular physics , hydrogen , range (aeronautics) , bond dipole moment , physics , transition dipole moment , quantum mechanics , materials science , group (periodic table) , computer science , composite material , embedded system
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.