H)  さらにこれらの研究の基礎になる基底関数を作る。
非相対論的基底関数　

H-1

Contracted Gaussian-type Basis Functions Revisited.
H. Tatewaki and T. Koga
J. Chem. Phys. 104, 8493-8499 (1996).

H-2

Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr
Toshikatsu Koga, Hiroshi Tatewaki, and Tsuyoshi Shimazaki
Chem. Phys. Lett. 328, 473-482 (2000)

H-3

Quality of the Contracted Gaussian-type Function Basis Sets
Hiroshi Tatewaki, Toshikatsu Koga, Tsuyoshi Shimazaki, and Shigeyoshi Yamamoto
J. Chem. Phys. 120, 5938-5945(2004)

相対論的基底関数

H-4

Relativistic Gaussian basis sets for molecular calculations: H - Xe
Toshikatsu Koga, Hiroshi Tatewaki, and Osamu Matsuoka
J. Chem. Phys. 115, 3561-3565 (2001).

H-5

Gaussian-type functions without prolapse from ₁H through ₈₃Bi for the Dirac-Fock-Roothaan equation.
Hiroshi Tatewaki and Yoshihiro Watanabe
J. Chem. Phys. 121 4528-4533 (2004).

H-6

Relativistic Gaussian basis sets for molecular calculations: Fully optimized single-family exponent basis sets for H-Hg
Yoshihiro Watanabe, Hiroshi Tatewaki ,Toshikatsu Koga, and Osamu Matsuoka
J. Comp. Chem. 27, 48-52 (2006).