特定非営利活動法人 量子化学研究協会研究所 Quantum Chemistry Research Institute

Yusaku I. Kurokawa

  • 量子化学研究協会研究所 研究員
    (Quantum Chemistry Reseach Institute   Postdoctoral)
E-mail y.kurokawa qcri.or.jp
趣味 将棋

Author of

16 Solving the Schrödinger Equation of Hydrogen Molecule with the Free-Complement Variational Theory: Essentially Exact Potential Curves and Vibrational Levels of the Ground and Excited States of Σ symmetry,
Y. I. Kurokawa, H. Nakashima, and H. Nakatsuji,
Phys. Chem. Chem. Phys., in press
15 Solving the Schrödinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules,
Hiroshi Nakatsuji, Hiroyuki Nakashima, and Yusaku I. Kurokawa,
J. Chem. Phys.149, 114106 (2018)
14 Solving the Schrödinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory,
Hiroshi Nakatsuji, Hiroyuki Nakashima, and Yusaku I. Kurokawa,
J. Chem. Phys.149, 114105 (2018)
13 Solving the Schrödinger equations of organic and inorganic molecules by the K computer,
Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku I. Kurokawa, Tomoo Miyahara ,
HPCI Research Report2, 39-45 (2017)
12 Solving the Schrodinger Equation of Harmonium Systems with the Free-Complement Local- Schrödinger-Equation method,
Yusaku I. Kurokawa and Hiroshi Nakatsuji,
Proceedings of the 16th International Conference on Computational and Mathematical Methods in Science and Engineering Costa Ballena (Rota)V, pp.1427-1432
11 General coalescence conditions for the exact wave functions: Higher-order relations for Coulombic and non Coulombic systems,
Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji,
Advances in Quantum Chemistry 73, article 46.
10 General coalescence conditions for the exact wave functions. II. Higher-order relations for many-particle systems,
Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji,
J. Chem. Phys. 140, pp 214103-1-11(2014).
9 General coalescence conditions for the exact wave functions: Higher-order relations for two-particle systems,
Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji,
J. Chem. Phys. 139, pp 044114-1-7 (2013).
8 Analytical evaluations of exponentially correlated unlinked one-center, three- and four-electron integrals,
C.Wang, P.Mei, Y. Kurokawa, H. Nakashima, and H.Nakatsuji,
Phys. Rev. A. 85, pp 042512-1-14 (2012).
7 Theoretical Study of Inverted Sandwich Type Complexes of 4d Transition Metal Elements: Interesting Similarities to and Differences from 3d Transition Metal Complexes,
Yusaku I. Kurokawa, Yoshihide Nakao, and Shigeyoshi Sakaki ,
J. Phys. Chem. A. 116 (9), pp 2292–2299, (2012), DOI: 10.1021/jp210781v
6 Inverted-sandwich-type and open-lantern-type dinuclear transition metal complexes: theoretical study of chemical bonds by electronic stress tensor,
K. Ichikawa, A. Wagatsuma, Y. I. Kurokawa, S. Sakaki and A. Tachibana,
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 130,(2-3), pp 237-250 (2011), DOI: 10.1007/s00214-011-0966-0
5 Inverted Sandwich Type Dinuclear Chromium(I) Complex and Its Analogues of Scandium(I), Titanium(I), Vanadium(I), Manganese(I), and Iron(I): Theoretical Study of Electronic Structure and Bonding Nature,
Yusaku I. Kurokawa, Yoshihide Nakao, and Shigeyoshi Sakaki,
J. Phys. Chem. A., 114 (2), pp 1191-1199 (2010)
4 Bonding Nature of Open Lantern type Dinuclear Cr(II) Complexes. Theoretical Study with MRMP2 Method,
Yusaku I. Kurokawa, Yoshihide Nakao and Shigeyoshi Sakaki,
J. Phys. Chem. A, 113 (13), pp 3202-3209 (2009)
3 Solving the Schrodinger equation of helium and its isoelectronic ions with the exponential integral (Ei) function in the free iterative complement interaction method,
Yusaku I. Kurokawa, Hiroyuki Nakashima and Hiroshi Nakatsuji,
Phys. Chem. Chem. Phys.10, pp 4486-4494 (2008).
2 Solving the Schrodinger Equation of Atoms and Molecules without Analytical Integration Based on the Free Iterative-Complement-Interaction Wave Function,
H. Nakatsuji, H. Nakashima, Y. Kurokawa, and A. Ishikawa,
Phys. Rev. Lett. 99, 240402 (2007)
1 Free iterative-complement-interaction calculations of the hydrogen molecule,
Yusaku Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji,
Phys. Rev. A 72, 062502 (2005).

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Oral Presentation

3.. more …
2 General Coalescence Conditions for the Exact Wave Functions,
Y. I. Kurokawa, H. Nakashima, H. Nakatsuji,
XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP XVI),  (Ishikawa Prefecture Museum of Art, Kanazawa, Japan, September 11-17, 2011).
1 MRMP2 and DFT Study of Inverted Sandwich Type DinuclearTransition Metal Complexes: Surprisingly High Spin Multiplicityin the Mn Analogue,
Yusaku I. Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki,
The fourth Asian Pacific Conference on Theoretical & Computational Chemistry (APCTCC-4),  (2009, Dec, Port Dickson, Malaysia).

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Award

2 MES2014 Poster Award, Molecular Electronic Structure Workshop (MES 2014), Amasya University, (Amasya, Turkey, Sep. 1-5, 2014)
Yusaku I. Kurokawa,

Potential Energy Curves of Hydrogen Molecule in the Ground and Excited States with the Free Complement Method.

1 APCTCC-4 Awards (Best Student Oral Communication Awards),
Yusaku I. Kurokawa, (Kyoto University, Japan),

MRMP2 and DFT Study of Inverted Sandwich Type Dinuclear Transition Metal Complexes: Surprisingly High Spin Multiplicity in the Mn Analogue.

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