2D Spectroscopy nonlinear optics Chemical Reaction quantum transport Frustrated systems Organic conductors HEOM Path Integrals Molecular Dynamics Stochastic Theory Monte Carlo quantum chemistry

Quantum chemistry

Resonating Hartree-Fock approach

bulletN. 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).

DCNQI and BEDT-TTF

bulletY. Imamura, S. Ten-no, K. Yonemitsu, and Y. Tanimura, Theoretical Study on correlation of 1-D(DCNQI)2M(M=Li,Ag) salts, Chem. Phys. Lett. 298, 15-20 (1998).
bulletY. 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).
bulletY. 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).

Biorthogonal Approach

bulletO. Hino, Y. Tanimura and S. Ten-no, Biorthogonal approach for explicitly correlated calculations using the transcorrelated Hamiltonian, J. Chem. Phys. 115, 7865-7871 (2001).
bulletO. 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).

On the fly MD Approach

bullet S. Ueno, Y. Tanimura, and S. Ten-no, Molecular dynamics simulation for infrared spectroscopy with intra-molecular forces from electronic properties of on-the-fly quantum chemical calculations, Int. J. Q. Chem. 113, 330-335 (2012).

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