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Karlsruhe Basis Sets

ii) svp

split-valence basis set H,Li B-Ne, Al-Ar

iii) dz

double polarization H

iv) dzp

double-zeta plus polarization

H, Li, B-NE,Al-Cl

v) tzp v) tz2p v) tzplarge v) tz2plarge

vi) qzp vi) qz2p vi) qz2p1f

vii) pz2p vii) pz3d2f

viii) 13s...

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Page last modified on January 21, 2009, at 11:04 PM
CFOUR is partially supported by the U.S. National Science Foundation.