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Exponential wave functions for atomic-molecular systems

✍ Scribed by T. K. Rebane

Book ID: 110176335
Publisher: SP MAIK Nauka/Interperiodica
Year: 2010
Tongue: English
Weight: 232 KB
Volume: 109
Category: Article
ISSN: 0030-400X
DOI: 10.1134/s0030400x1007012x

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## Abstract It is found that ordinary STOs fall off too fast in the atomic region in many cases. A new type of basis set, which is more adaptable to the rather different requirements of the various atomic orbitals in an atom, is developed. The suggested functional form χ(__r__) = __Nr__^__n__‐1^ ex