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Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton

โœ Scribed by Wilson, Angela K.; Woon, David E.; Peterson, Kirk A.; Dunning, Thom H.

Book ID
121497316
Publisher
American Institute of Physics
Year
1999
Tongue
English
Weight
310 KB
Volume
110
Category
Article
ISSN
0021-9606

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Gaussian basis sets for use in correlate
Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon
โœ Tanja Van Mourik; Thom H. Dunning Jr. ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 399 KB

Standard and augmented correlation consistent sextuple zeta cc-pV6Z . and aug-cc-pV6Z basis sets have been determined for the second-row atoms aluminum through argon. Using these sets, dissociation energies and spectroscopic constants for the ground states of HCl, PN, and P have been calculated usi