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Excitation energies of the h112 and d32 neutron states in 145Gd and 147Dy

โœ Scribed by K.S. Toth; A.E. Rainis; C.R. Bingham; E. Newman; H.K. Carter; W.-D. Schmidt-Ott


Book ID
113338571
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
260 KB
Volume
56
Category
Article
ISSN
0370-2693

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Excitation energies of the n โ†’ ฯ€* 3Aโ€ณ an
โœ Robert R. Lucchese; Henry F. Schaefer III; Clifford E. Dykstra ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 283 KB

The vertical and adiabatic excitation energies between the ground and lowest two triplet states of acrolein were studied using ab initio correlated wavefunctions. A double zeta basis set was used in the configuration interaction calculations and each configuration expansion included about 6000 deter