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Theoretical studies of diamagnetic properties of the hydrogen molecule ion. I. Approximate variation‐perturbation calculation
Author(s) -
Garrett Thomas B.,
Zeroka Daniel
Publication year - 1972
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.560060409
Subject(s) - diamagnetism , ion , perturbation (astronomy) , molecule , hydrogen molecule , perturbation theory (quantum mechanics) , electromagnetic shielding , hydrogen , chemistry , shielding effect , atomic physics , computational chemistry , molecular physics , physics , magnetic field , quantum mechanics , organic chemistry
A variation‐perturbation method, analogous to a technique devised by Das and Bersohn for the study of the hydrogen molecule, is developed for calculation of the diamagnetic susceptibility χ and magnetic shielding σ and is applied to a study of the hydrogen molecule ion. Two approximations are investigated–in a first approximation, χ = −0.37814α 2 a o 3and σ = 1.112 × 10 −5 c.g.s. units and in a second approximation, χ = −0.37569α 2 a o 3and σ = 1.128 × 10 −5 c.g.s. units.