MOLPRO Basis Query, basis=ROOS
Density matrix averaged atomic natural orbital (ANO) basis sets for
correlated molecular wave functions. II. Second row atoms
Per-Olof Widmark, B. Joakim Persson and Bjorn O. Roos
Theor. Chim. Acta (1991)
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Na Sodium atom *
Basic primitive: 16s,11p - SCF optimized *
4d,3f - SDCI optimized for Na2 *
Augmented: 1s with exponent 0.40x lowest exponent *
1p with exponent 0.40x lowest exponent *
1d with exponent 0.40x lowest exponent *
1f with exponent 0.40x lowest exponent *
*
Contraction: State Field Method Weight *
Na 0.000 SCF 1.000 *
Na 0.010 SCF 1.000 *
Na+ 0.000 SCF 1.000 *
Na- 0.000 SCF 1.000 *
Na2 0.000 SDCI 1.000 *
*
Contraction range: 4s3p2d1f - 7s6p4f3d *
*
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