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Variational method for calculating molecular multipole polarizabilities using atom centered extended trial functions

โœ Scribed by Alain Cartier

Publisher
Springer
Year
1981
Tongue
English
Weight
386 KB
Volume
59
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

An extended variational method for calcu
An extended variational method for calculating molecular multipole polarizabilities
โœ Jean-Louis Rivail; Alain Cartier ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 388 KB

The improvement proposed by ShuMa and Easa to the variational calculation of multipoie pokuizabdities of atoms has been applied to molecules. The convergence of the technique appears to be fair but the accuracy of the results is stron& dependent on the quality of the initial wavefunction. in the cas