Non relativistic basis sets
- contracted sets
cgtf sets for atoms Li to Ne
by Tatewaki and Koga. J. Chem. Phys. 104, 8493(1996).
cgtf sets for atoms Na to Ar
by Tatewaki and Koga. Theor. Chem. Acc. 96, 243(1997)).
cgtf sets for atoms K to Kr
by Koga et al. Theoret. Chem. Acc., 102, 105-111.(1999).
cgtf sets for atoms Rb to Xe
by Koga et al. Theoret. Chem. Acc., 108, 41-45.(2002).
- uncontracted sets
uncontracted gtf functions
for atoms H to Lr by koga,
Tatewaki and Shimazak, Chem. Phys. Lett.328, 473-482(2000).
- polarization sets
polarization functions
for alkali and alkali-earth atoms by Tatewaki and Koga.
Theoret. Chem. Acc. 101, 325-331 (1999).
polarization functions
for first-row transition metal atoms by Tatewaki,
Koga and Yamamoto, Theoret. Chem. Acc. 105, 55-61(2000).
- Rydberg series
cgtf sets for the 3d Rydberg orbitals
for atoms B to Ne and Al to Ar, by Moriyama and Tatewaki, Mol.Phys.101,53-63(2003).
Relativistic basis sets
Papers written by Tatewaki
Jump to
Graduate School of Natural Science, Nagoya City University
Members of The Tatewaki Research Group
Link to
Shigeyoshi Yamamoto's Homepage