Hiroshi Nakatsuji
Affiliations: | Kyoto University, Japan, Kyōto-shi, Kyōto-fu, Japan |
Area:
Quantum scienceWebsite:
http://qcri.or.jp/~nakatsuji/nakatsuji.htmGoogle:
"Hiroshi Nakatsuji"Children
Sign in to add trainee| Masahiro Ehara | grad student | 1993 | Kyoto University (Chemistry Tree) |
| Jarek Meller | post-doc | 1998-1999 | Kyoto University, Japan (BME Tree) |
| Jen-Shiang K. Yu | post-doc | 2006-2007 | (Chemistry Tree) |
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Publications
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| Nakashima H, Nakatsuji H. (2023) Potential Energy Curves of the Low-Lying Five Σ and Π States of a CH Molecule Based on the Free Complement - Local Schrödinger Equation Theory and the Chemical Formula Theory. Journal of Chemical Theory and Computation. 19: 6733-6744 |
| Nakatsuji H, Nakashima H. (2022) Potential curves of the lower nine states of Li molecule: Accurate calculations with the free complement theory and the comparisons with the SAC/SAC-CI results. The Journal of Chemical Physics. 157: 094109 |
| Kurokawa YI, Nakashima H, Nakatsuji H. (2020) Solving the Schrödinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of Π symmetry. Physical Chemistry Chemical Physics : Pccp. 22: 13489-13497 |
| Nakashima H, Nakatsuji H. (2020) Inverse Hamiltonian method assisted by the complex scaling technique for solving the Dirac-Coulomb equation: Helium isoelectronic atoms Chemical Physics Letters. 749: 137447 |
| Miyahara T, Nakatsuji H. (2019) Light-Driven Proton, Sodium Ion, and Chloride Ion Transfer Mechanisms in Rhodopsins: SAC-CI Study. The Journal of Physical Chemistry. A |
| Nakatsuji H, Nakashima H. (2019) Solving the Schrödinger equation with the free-complement chemical-formula theory: Variational study of the ground and excited states of Be and Li atoms. The Journal of Chemical Physics. 150: 044105 |
| Nakashima H, Nakatsuji H. (2018) Solving the Schrödinger equation of hydrogen molecule with the free complement-local Schrödinger equation method: Potential energy curves of the ground and singly excited singlet and triplet states, Σ, Π, Δ, and Φ. The Journal of Chemical Physics. 149: 244116 |
| Kurokawa YI, Nakashima H, Nakatsuji H. (2018) Solving the Schrödinger equation of hydrogen molecules with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of the Σ symmetry. Physical Chemistry Chemical Physics : Pccp |
| Miyahara T, Nakatsuji H. (2018) Photoelectron spectrum of NO : SAC-CI gradient study of vibrational-rotational structures. Journal of Computational Chemistry |
| Nakatsuji H, Nakashima H, Kurokawa YI. (2018) Solving the Schrödinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules. The Journal of Chemical Physics. 149: 114106 |