## Abstract The electric field gradient in the hydrogen molecule has been calculated by diagrammatic manyβbody 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
β¦ LIBER β¦
Extension of the PCNQM model for the calculation of electric field gradient tensors in asymmetric molecules. The carbon electric field gradient in CH3CHFCl
β Scribed by Markus Pernpointner; Peter Schwerdtfeger
- Book ID
- 108313122
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 98 KB
- Volume
- 316
- Category
- Article
- ISSN
- 0009-2614
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