Quantum Chemistry Calculations
 | Ab initio MO studies of DCNQI organic conductor molecules |
| Ab initio MO studies of BEDT-TTF organic conductor molecules |
| Resonating Hartree Fock and Transcorrelated approaches to quantum chemistry calculations |
Representative references
 | 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). |
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| 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). |
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| 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). |
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| 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). |
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| 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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