Theoretical studies of diamagnetic properties of the hydrogen molecule ion. I. Approximate variation‐perturbation calculation | Zendy

Garrett Thomas B. | Zendy; Zeroka Daniel | Zendy

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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.

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