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A variational perturbation treatment of the hydrogen molecular ion using the green function method on the united atom
Author(s) -
Corsaro Felicia A.,
Solenberger Françoise R.,
Hameka Hendrik F.
Publication year - 1974
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.560080302
Subject(s) - perturbation (astronomy) , ion , hydrogen atom , atomic physics , wave function , effective nuclear charge , atom (system on chip) , perturbation theory (quantum mechanics) , hydrogen , chemistry , function (biology) , physics , quantum mechanics , group (periodic table) , evolutionary biology , computer science , biology , embedded system
We calculated the second‐order perturbed energy and the first‐order perturbed wave function of the hydrogen molecular ion by the Green function method based on a united atom with effective nuclear charge, Z . Since the perturbation is given by ( Z / r ) — (1/ r A ) — (1/ r B ), its magnitude depends on the parameter Z . We obtain an analytical expression for the second‐order perturbed energy as a function of Z and the internuclear distance R . We discuss a variety of methods to determine the best values for Z and to derive the potential energy curve and the force constant for H 2 + ; these methods vary in the accuracy of their results.