Hiroshi Nakatsuji

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 14

Top Topics

Density Functional Theory

Electron Transfer

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Hiroshi Nakatsuji, Hiroyuki Nakashima
Exact Theory Applied to the Lithium Atom. Journal of chemical theory and computation (2024)
Hiroshi Nakatsuji, Hiroyuki Nakashima
Accurate Scaling Functions of the Scaled Schrödinger Equation. II. Variational Examination of the Correct Scaling Functions with the Free Complement Theory Applied to the Helium Atom. Journal of chemical theory and computation (2024)
Hiroshi Nakatsuji, Hiroyuki Nakashima
Accurate Scaling Functions of the Scaled Schrödinger Equation. II. Variational Examination of the Correct Scaling Functions with the Free Complement Theory Applied to the Helium Atom. Journal of chemical theory and computation 20 (9) (2024)
Hiroyuki Nakashima, Hiroshi Nakatsuji
Potential Energy Curves of the Low-Lying Five 1 Σ + and 1 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 (2023)
Yusaku I Kurokawa, Hiroshi Nakatsuji
Gaussian functions with odd power of r produced by the free complement theory. The Journal of chemical physics 159 (2) (2023)
Hiroyuki Nakashima, Hiroshi Nakatsuji
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 (24) (2019)
Hiroshi Nakatsuji, Hiroyuki Nakashima
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 (4) (2019)
Tomoo Miyahara, Hiroshi Nakatsuji
Light-Driven Proton, Sodium Ion, and Chloride Ion Transfer Mechanisms in Rhodopsins: SAC-CI Study. The journal of physical chemistry. A 123 (9) (2019)
Joel M Bowman, Djamaladdin G Musaev, Hiroshi Nakatsuji
Keiji Morokuma. The journal of physical chemistry. A 122 (4) (2019)
Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku I Kurokawa
Solving the Schrödinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory. The Journal of chemical physics 149 (11) (2018)
Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku I Kurokawa
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 (11) (2018)
Tomoo Miyahara, Hiroshi Nakatsuji
Photoelectron spectrum of NO2 - : SAC-CI gradient study of vibrational-rotational structures. Journal of computational chemistry 40 (2) (2018)
Yusaku I Kurokawa, Hiroyuki Nakashima, Hiroshi Nakatsuji
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 21 (12) (2018)
Tomoo Miyahara, Hiroshi Nakatsuji
Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine. The journal of physical chemistry. A 122 (1) (2017)