Medium-size Gaussian basis sets for hydrogen through argon
β Scribed by Toshikatsu Koga; Ajit J. Thakkar
- Book ID
- 105077075
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 197 KB
- Volume
- 85
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
We have applied the generator coordinate HartreeαFock method to generate adapted Gaussian basis sets for the atoms from H through Xe. The GriffinαHillαWheelerαHartreeαFock equations are integrated numerically generating accurate basis sets for these atoms. Our atomic wave functions are an improvemen