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Ab Initio Vertical Ionization Potentials of trans-Butadiene and Cyclobutadiene Using the Effective Valence Shell Hamiltonian Method

โœ Scribed by Martin, Charles H.; Graham, Richard L.; Freed, Karl F.

Book ID
118266492
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
719 KB
Volume
98
Category
Article
ISSN
0022-3654

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Ab initio effective valence shell hamilt
Ab initio effective valence shell hamiltonian calculation of the valence state potential curves of CH and CH+
โœ Hosung Sun; Karl F. Freed ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 770 KB

The third-order ab initio effective valence shell hamiltonran of quasi-degenerate many-body perturbation theory is calculated for the vaience state potential curves of CH and CH" simultaneously. The results are in accord with experiment and configuration interaction calculations, and they have appli