Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals
نویسندگان
چکیده
منابع مشابه
Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals.
The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and with only one independent bond angle. The approximation is seen to be an excellent one in all ca...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1982
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.79.4.1361