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Mixed Basis Method with Overlapping Atomic Orbitals

โœ Scribed by B. I. Reser

Book ID
104548995
Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
299 KB
Volume
127
Category
Article
ISSN
0370-1972

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๐Ÿ“œ SIMILAR VOLUMES

Atomic orbital basis sets for use with e
Atomic orbital basis sets for use with effective core potentials
โœ J.-P. Blaudeau; S. R. Brozell; S. Matsika; Z. Zhang; R. M. Pitzer ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 372 KB

Basis sets developed for use with effective core potentials describe pseudo-orbitals rather than orbitals. The primitive Gaussian functions and the contraction coefficients in the basis set must therefore both describe the valence region effectively and allow the pseudo-orbital to be small in the co