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

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

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

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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