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Numerical orbital calculations using nonuniform grids

✍ Scribed by Yasuyuki Ishikawa; I. L. Aponte-Avellanet; S. A. Alexander


Book ID
104582712
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
376 KB
Volume
36
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES


Coupled cluster calculations for the BC
✍ Nevin Oliphant; Ludwik Adamowicz πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 320 KB

Calculations were performed on the BC molecule using a method which combines the numerical MCSCF technique and the coupled cluster method involving single, double and triple excitations (CCSD+T(CCSD) level) in an attempt to determine, very accurately, r, in the ground electronic state. The result of