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
||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.
||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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