horizontal rule

Quantum Chemistry Calculations

bulletAb initio MO studies of DCNQI organic conductor molecules
bulletAb initio MO studies of BEDT-TTF organic conductor molecules
bulletResonating Hartree Fock and Transcorrelated approaches to quantum chemistry calculations

Representative references

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).
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).
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).

Complete list of the related subject

Switch to Japanese

horizontal rule