量子化学計算の展開と応用
| BEDT−TTF系の量子化学計算と電子状態解析
| DCNQI系の量子化学計算と電子状態解析 |
| 量子化学的手法の開発 |
|
主要な文献
| N. Tomita, S. Ten-no, and Y. Tanimura, Resonating
Hartree-Fock approach to electron correlation problems in ab initio
molecular orbital calculations: Superposition of non-orthogonal Slater
determinants, Chem. Phys. Lett. 263, 687-690 (1996). |
| Y. Imamura, S. Ten-no, and Y. Tanimura, Ab initio
MO studies on electronic states of DCNQI molecules, J. Phys. Chem.
B 103, 266-270 (1999). |
| Y. Imamura, K. Yonemitsu, S. Ten-no, and Y. Tanimura,
Ab initio MO studies on electronic states of BEDT-TTF molecules,
J. Chem. Phys.,111, 5986-5994 (1999). |
| O. Hino, Y. Tanimura and S. Ten-no, Biorthogonal approach for explicitly correlated calculations using the transcorrelated Hamiltonian, J. Chem. Phys. 115,
7865-7871 (2001). |
| O. Hino, Y. Tanimura and S. Ten-no, Application of the transcorrelated Hamiltonian to the linearized coupled cluster singles and doubles model, Chem. Phys. Lett.
353, 317-323 (2002). |
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