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Scaled AMO calculations on the hydrogen molecule. III. The 1 s 2 s 3 ∑ + g state
Author(s) -
Brändas Erkki
Publication year - 1968
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.560020308
Subject(s) - hydrogen molecule , molecule , state (computer science) , atomic physics , hydrogen , physics , potential energy , chemistry , energy (signal processing) , computational chemistry , quantum mechanics , mathematics , algorithm
The potential energy curve for the 1 s 2 s 3 ∑ g +state of the hydrogen molecule is calculated in a scaled version of the AMO approximation. Deviations from a simple potential curve occur. The agreement with experimental data is found to be better for the present state than for the 1 s σ2 p σ 1 ∑ u +state studied in a previous paper.