ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A separated pair calculation of the electronic structure of the Li2O molecule is described. Rather extensive calculations were made of the potential surface for symmetric configurations of Li2O using a double zeta Slater orbital basis. A linear configuration with LiO bond length of 1.71 Å is found to be most stable. The electron distribution and correlation effects are discussed.
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560060209
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