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

• uncontracted relativistic gtf functions for atoms H to Xe. by koga, Tatewaki and Matsuoka. J.Chem.Phys.115 3561-3565 (2001).
  
• uncontracted relativistic gtf functions for atoms Cs to Hg. by koga, Tatewaki and Matsuoka. J.Chem.Phys.117 7813-7814 (2002).
  
• uncontracted relativistic gtf functions for atoms Tl to Lr. by koga, Tatewaki and Matsuoka. J.Chem.Phys.119 1279-1280 (2003).
  
• Gaussian-type function set without prolapse for atoms H to Bi. by H.Tatewaki and Y.Watanabe. J.Chem.Phys.121 4528 (2004) and S.Yamamoto, H.Tatewaki and Y.Watanabe to be published in J.Chem.Phys. (2006).
  
• auxiliary functions for non-relativistic basis for relativistic molecular calculations, Tatewaki, Mochizuki,Koga and Karwowski. J.Chem.Phys.115 9160-9164 (2001).
  

Papers written by Tatewaki

• papers written by Tatewaki from 1992 to 2011.

Jump to Graduate School of Natural Science, Nagoya City University

Members of The Tatewaki Research Group

• Hiroko Moriyam's Homepage

Link to Shigeyoshi Yamamoto's Homepage