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How to spoil a good basis set for Rayleigh-Ritz calculations

โœ Scribed by Pupyshev, Vladimir I.; Montgomery, H. E.


Book ID
120939947
Publisher
American Institute of Physics
Year
2013
Tongue
English
Weight
451 KB
Volume
54
Category
Article
ISSN
0022-2488

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A program to test basis sets for quantum
โœ L. Fernandez Pacios ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 841 KB

A computer program to determine orbital properties over STO or GTO basis functions is described. An option is provided to include ab imtio analytical effective core potentials and thus check the more suitable valence-only basis set. Without performing complete atomic or molecular calculations, the p