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H

Hiroshi Nakatsuji

quantum chemistry research institute

60H-index
375Paper Count
1.3WCitation Count
Published Papers 97
Publication Date
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Solving the Scaled Schrödinger Equation with SAC–CI and Electrostatic Force Formalism. Ground; Excited; and Ionized States of the Benzene Molecule
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-09
err0
PREAI
errHiroshi Nakatsuji
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Exact Theory Applied to the Lithium Atom
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-03
err0
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki
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Accurate Scaling Functions of the Scaled Schrodinger Equation. II. Variational Examination of the Correct Scaling Functions with the Free Complement Theory Applied to the Helium Atom
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-29
err1
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki
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Potential Energy Curves of the Low-Lying Five 1Σ+ and 1Π States of a CH+ Molecule Based on the Free Complement - Local Schrodinger Equation Theory and the Chemical Formula Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-14
err0
PREAI
errNakashima, Hiroyuki; Nakatsuji, Hiroshi
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Gaussian functions with odd power of r produced by the free complement theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-10
err0
PREAI
errKurokawa, Yusaku I. I.; Nakatsuji, Hiroshi
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Potential curves of the lower nine states of Li2 molecule: Accurate calculations with the free complement theory and the comparisons with the SAC/SAC-CI results
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-02
err8
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki
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Accurate scaling functions of the scaled Schrodinger equation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-04
err7
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki; Kurokawa, Yusaku I.
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Solving the Schrodinger equation with the free-complement chemical-formula theory: Variational study of the ground and excited states of Be and Li atoms
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-01-25
err11
PREAI
errNakatsujia, Hiroshi; Nakashima, Hiroyuki
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Solving the Schrodinger equation of hydrogen molecule with the free complement local Schrodinger equation method: Potential energy curves of the ground and singly excited singlet and triplet states, Σ, Π, Δ, and φ
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-12-27
err10
PREAI
errNakashima, Hiroyuki; Nakatsuji, Hiroshi
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Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-23
err0
PREAI
errMiyahara, Tomoo; Nakatsuji, Hiroshi
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Solving the Schrodinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-20
err19
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki; Kurokawa, Yusaku I.
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Solving the Schrodinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-20
err21
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki; Kurokawa, Yusaku I.
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Photoswitchable Drugs and Insulin Release: Molecular Events in EPAC2A Protein
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err0
errOAAI
errNowak, Wieslaw A.; Peplowski, Lukasz; Rydzewski, Jakub; Miyahara, Tomoo; Nakamura, Haruki; Nakatsuji, Hiroshi
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Solving the Schrodinger equation of molecules by relaxing the antisymmetry rule: Inter-exchange theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-05-15
err14
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki
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Free-complement local-Schrodinger-equation method for solving the Schrodinger equation of atoms and molecules: Basic theories and features
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-02-26
err23
PREAI
errNakatsuji, Hiroshi; Nakashima, Hiroyuki
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General coalescence conditions for the exact wave functions. II. Higher-order relations for many-particle systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-06-03
err10
PREAI
errKurokawa, Yusaku I.; Nakashima, Hiroyuki; Nakatsuji, Hiroshi
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Non-Born-Oppenheimer potential energy curve: Hydrogen molecular ion with highly accurate free complement method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-08-15
err14
PREAI
errNakashima, Hiroyuki; Nakatsuji, Hiroshi
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General coalescence conditions for the exact wave functions: Higher-order relations for two-particle systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-07-26
err15
PREAI
errKurokawa, Yusaku I.; Nakashima, Hiroyuki; Nakatsuji, Hiroshi
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Efficient antisymmetrization algorithm for the partially correlated wave functions in the free complement-local Schrodinger equation method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-07-25
err8
PREAI
errNakashima, Hiroyuki; Nakatsuji, Hiroshi
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SOLVING THE NON-BORN-OPPENHEIMER SCHRODINGER EQUATION FOR THE HYDROGEN MOLECULAR ION WITH THE FREE COMPLEMENT METHOD. II. HIGHLY ACCURATE ELECTRONIC, VIBRATIONAL, AND ROTATIONAL EXCITED STATES
errASTROPHYSICAL JOURNAL
IF5.4
err2013-06-05
err14
errOAAI
errNakashima, Hiroyuki; Hijikata, Yuh; Nakatsuji, Hiroshi
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Research Directions

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Co-authors
Cooperation Journals
A
Atsuhiro Osuka
H-index: 105 · Papers: 2.5K
M
Michael J. Frisch
H-index: 98 · Papers: 354
E
Ernest R. Davidson
H-index: 86 · Papers: 622
Y
Yoshihiko Ito
H-index: 85 · Papers: 942
M
Masahiro Murakami
H-index: 84 · Papers: 767
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