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Molecular calculations by the method of floating spherical Gaussian functions

โœ Scribed by Yu. A. Borisov; D. G. Musaev


Publisher
SP MAIK Nauka/Interperiodica
Year
1982
Tongue
English
Weight
421 KB
Volume
23
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES


Capability of pseudopotential methods to
โœ J.C. Barthelat; Ph. Durand ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 290 KB

A pseudopotential method has been applied to the calculation of local molecular orbit& for the water molecule in its ground state. Calculated values of the bond length and of the bond angle are in good agreement with those obtained from analogous calculations involving all the electrons. Comparison