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Calculation of the energy of the hydrogen molecule with the aid of the wave functions for the motion of an electron in the field of two fixed nuclei

✍ Scribed by V. K. Kapyshev

Publisher
SP MAIK Nauka/Interperiodica
Year
1974
Tongue
English
Weight
229 KB
Volume
14
Category
Article
ISSN
0022-4766

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## Abstract The electric field gradient in the hydrogen molecule has been calculated by diagrammatic many‐body perturbation theory (MBPT) in Gaussian basis sets. The procedure through third order in electron correlation gives a value for the field gradient of 0.34041 a.u., which is 0.8% greater tha