Scaled  AMO  calculations on the hydrogen molecule. III. The 1 s 2 s   3 ∑         +    g     state | Zendy

Brändas Erkki | Zendy

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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.

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