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Ab initioCalculations for the electronic structure of carbazole and trinitrofluorenone

โœ Scribed by I. P. Batra; P. S. Bagus; E. Clementi; H. Seki

Publisher
Springer
Year
1974
Tongue
English
Weight
607 KB
Volume
32
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

Carbazole and trinitrofluorenone: an ab
Carbazole and trinitrofluorenone: an ab initio investigation of ionization potentials, electron affinities and excited states
โœ P.S. Bagus; I.P. Batra; E. Clementi ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 521 KB

Minimal basis set SCF calculations are reported for the ground states and positive and negative ions of carbazole and trinitrofluorenone. For crrbazole, wavefunctions for several loudying excited states have also been obtained. Methods for surmounting convergence difficulties for these large system