1992 1) The electronic structure of small transition metal clusters. Hiroshi Tatewaki and Mutsumi Tomonari Can. J. Chem. 70, 642-656 (1992) 1993 2 ) Elastic scattering of high energy electrons by N2 : Discrepancy between theory and experiment. J. W. Liu, Ajit J. Thakkar and Hiroshi Tatewaki J. Phys. B; At. Mol. Opt. Phys. 26, L185-L190 (1993) 3) Roothaan-Hartree-Fock wave functions for atoms with z ²54. Toshikatsu Koga, Hiroshi Tatewaki and Ajit J. Thakkar Phys. Rev. A47, 4510-4512 (1993) 4) Even-tempered Roothaan-Hartree-Fock wave functions for the third- and fourth-row atoms Toshikatsu Koga, Hiroshi Tatewaki and Ajit J. Thakkar Theoret. Chim. Acta. 86, 477-485(1993). 5) Roothaan-Hartree-Fock wave functions for ions with z ² 54. Toshikatsu Koga, Y. Seki, Ajit J. Thakkar and Hiroshi Tatewaki J. Phys. B26, 2529-2532(1993) 6) Electronic structure of the 1-(Benzoyloxy) ethyl radical. Nozomu Uchida, Tomoo Shiomi, Kiyokazu Imai, and Hiroshi Tatewaki Bul. Chem. Soc. of Japan 33, 3142-3152(1993) 1994 7) Doubly even-tempered Roothaan-Hartree-Fock wave functions for the atoms He through Xe. Toshikatsu Koga, Hiroshi Tatewaki, and Ajit J. Thakkar Theoret. Chim. Acta. 88, 273-283(1994) 8) Electronic structure of a cluster taken from high-Tc super conductor of YBa2Cu3O7 : (Cu4O2)(O4Ba)(Cu4O4)Y(Cu4O4) (O4Ba)(Cu4O2) embedded in ionic cage of point charges. Hiroshi Tatewaki, Kiyoshi Tanaka, and Takeshi Noro Jpn. J. Appl. Phys. 33, 92-96(1994) 9) The ground state of the Fe2 molecule. Takeshi Noro, Charles Ballard, Michael H. Palmer, and Hiroshi Tatewaki J. Chem. Phys. 100, 452-456 (1994) 10) Numerical Hartree-Fock energies of singly-charged cations and anions with N ² 54. Toshikatsu Koga, Hiroshi Tatewaki, and Ajit J. Thakkar J. Chem. Phys. 100, 8140-8144 (1994) 11) Numerical Hartree-Fock energies of low-lying excited states of neutral atoms with z ² 18. Hiroshi Tatewaki, Toshikatsu Koga, Yoshiko Sakai, and Ajit J. Thakkar J. Chem. Phys. 101 4945-4948 (1994) 12) Numerical Hartree-Fock of low-lying excited states of neutral atoms with 19 ² Z ² 36. H. Tatewaki and T. Koga Chem. Phys. Lett. 228 562-567(1994) 13) Rearrangement of (Polymethoxybenzyl) ammonium N- Methylides. Y. Maeda, N. Shirai, Y. Sato, and H. Tatewaki J. Org. Chem. 59, 7897-7901 (1994). 1995 14) The 6s and 4f ionized states of lantanides calculated by numerical and analytical Hartree-Fock methods. H. Tatewaki, M. Sekiya, F. Sasaki, O. Matsuoka, and T. Koga Phys. Rev. A 51, 197-203 (1995). 15) The surface and bulk excitons in crystalline LiF. - Li+m F-m embedded in ionic cage - Hiroshi Tatewaki and Eisaku Miyoshi Surf. Sci. 327, 129-144 (1995). 16) Why do the second transition metal atoms prefer 5s14dm+1 to 5s24dm ? Toshikatsu Koga, Hidenori Aoki, and Hiroshi Tatewaki Theoret. Chim. Acta. 92, 281-295 (1995). 17) Comments on Dunning's Correlation-Consistent Basis Sets. T. Hashimoto, K. Hirao, and H. Tatewaki Chem. Phys. Lett. 243, 190-192 (1995) 1996 18) Application of a model potential method by spectral representation technique to Cu clusters. H. Tatewaki, S. Katsuki, Y. Sakai, and E. Miyoshi J. Comp. Chem. 17,1056-1067 (1996). 19) Quality of the correlating functions from commonly used basis sets. T. Komatsu, T. Noro, F. Sasaki, and H. Tatewaki J. Comp. Chem. 17, 1276-1286 (1996). 20) Contracted Gaussian-type Basis Functions Revisited. H. Tatewaki and T. Koga J. Chem. Phys. 104, 8493-8499 (1996). 1997 21) All-electron Dirac-Fock Roothaan calculations on the electronic structure of the GdF molecule. H. Tatewaki and O. Matsuoka J. Chem. Phys., 106, 4558- 4565 (1997). 22) Contracted Gaussian-type Basis Functions Revisited. II. Atoms Na through Ar. H. Tatewaki , T. Koga, and H. Takashima Theoret. Chem. Acc., 96, 243-247 (1997). 23) Atomic ionization potentials and electron affinities with relativistic and mass corrections. T. Koga, H. Aoki, J. M. Garcia de la Vega, and H. Tatewaki Theoret. Chem. Acc., 96, 248-255 (1997). 24) Potential Curve of the Ground State and Low-lying States of Scandium Dimer with Use of the State-Averaged MCSCF Orbitals. Y. Suzuki, S. Asai, K. Kobayashi, T. Noro, F. Sasaki, and H. Tatewaki Chem. Phys. Lett., 268, 213-217 (1997). 25) The 6s and 4f ionized states of lanthanide calculated by configuration interaction method. Masahiro Sekiya, Fukashi Sasaki, and Hiroshi Tatewaki Phys. Rev. A56, 2731-2740 (1997). 26) Contracted or uncontracted polarization functions. -Comments on DunningÕs correlation consistent basis sets- Tomohiro Hashimoto, Kimihiko Hirao, and Hiroshi Tatewaki Chem. Phys. Lett. 273, 345-352 (1997). 27) Contracted polarization functions from B to Ar. Hiroshi Tatewaki, Tomohiro Hashimoto, and Kimihiko Hirao Theoret. Chem. Acc., 98, 71-74 (1997). 1998 28) All-electron Dirac-Fock Roothaan calculations on the electronic structure of the GdF2 molecule. H. Tatewaki and O. Matsuoka Chem. Phys. Lett. 283, 161-166 (1998). 29) Model Core Potential for lanthanides. Y. Sakai , E. Miyoshi, and H. Tatewaki THEO CHEM 451, 143-150 (1998). 30) The electronic structure of high-Tc super conductor of YBa2Cu3O7 by symmetry broken SCF method - (Cu4O2)(O4Ba)(Cu4O4)Y(O4Cu4)(O4Ba) (Cu4O2) embedded in ionic cage - H. Tatewaki THEO CHEM 451, 205-214 (1998). 31) On the location of pp holes in a high-Tc YBa2Cu3O7 superconductor. H. Tatewaki, Chem. Phys. Lett. 295 399-408 (1998) 1999 32) Potential Energy Curve of the Ground State of Titanium Dimer. Yoshi-ichi Suzuki, Takeshi Noro, Fukashi Sasaki, and Hiroshi Tatewaki THEO CHEM 461-462, 351-357 (1999) 33) Valence p functions for alkali and alkali-earth atoms Hiroshi Tatewaki and Toshikatsu Koga, Theoret. Chem. Acc. 101, 325-331 (1999) 34) Contracted Gaussian-type basis functions revisited III. Atoms K through Kr. Toshikatsu Koga, Hiroshi Tatewaki, Hisashi Matsuyama, and Yasuharu Satoh Theoret. Chem. Acc., 102, 105-111.(1999) 35) The ionization threshold of crystalline LiF. H. Tatewaki Phys. Rev. B60, 3777-3786 (1999) 2000 36) On the role of lattice defect at O(1) in a high-Tc YBa2Cu3O7-d. H. Tatewaki, Phys. Lett. A265, 420-425 (2000) 37) Valence 4p functions for the first transition metal atoms Hiroshi Tatewaki, Toshikatsu Koga, and Shigeyoshi Yamamoto Theor Chem Acc 105, 55-61, (2000) 38) Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr Toshikatsu Koga1, Hiroshi Tatewaki2, and Tsuyoshi Shimazaki1 Chem. Phys. Lett. 328, 473-482 (2000) 39) The differences between 4fn+1 5d0 6s2 and 4fn 5d1 6s2 electron configurations for the lanthanide atoms M. Sekiya, K. Narita, and H. Tatewaki Phys. Rev. A63 012503 -1-9 (9 pages) (2000) 2001 40) Rydberg character of the higher excited states of free base porphin Shigeyoshi Yamamoto, Hiroshi Tatewaki , Osamu Kitao , and Geerd H. F. Diercksen Theoret. Chem. Acc. 106, 287-296 (2001). 41) Relativistic Gaussian basis sets for molecular calculations: H - Xe Toshikatsu Koga, Hiroshi Tatewaki, and Osamu Matsuoka J. Chem. Phys. 115, 3561-3565 (2001) 42) Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions Yuji Mochizuki and Hiroshi Tatewaki Chem. Phys. 273, 135-148 (2001) 43) Modification of Nonrelativistic Gaussian Basis Sets for Relativistic Calculations Hiroshi Tatewaki , Yuji Mochizuki , Toshikatsu Koga , and Jacek Karwowski J. Chem. Phys. 115, 9160-9164 (2001)