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Mean value of the electric field gradient in a molecule

✍ Scribed by T. K. Rebane


Publisher
SP MAIK Nauka/Interperiodica
Year
1991
Tongue
English
Weight
225 KB
Volume
32
Category
Article
ISSN
0022-4766

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Many-body calculation of the electric fi
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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