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Ishikawa, Takatsugu*; Fujimura, Hisako*; Fukasawa, Hiroshi*; Hashimoto, Ryo*; He, Q.*; Honda, Yuki*; Hosaka, Atsushi; Iwata, Takahiro*; Kaida, Shun*; Kasagi, Jirota*; et al.
Physical Review C, 101(5), p.052201_1 - 052201_6, 2020/05
Times Cited Count:4 Percentile:38.59(Physics, Nuclear)Fujita, Takatoshi*; Tanaka, Shigenori*; Fujiwara, Takayuki*; Kusa, Masaaki*; Mochizuki, Yuji*; Shiga, Motoyuki
Computational and Theoretical Chemistry, 997, p.7 - 13, 2012/10
We have performed ab initio path integral Monte Carlo simulations for water trimer (HO)
system. The electron correlation effects have been taken into account up to the level of third-order M
ller-Plesset (MP3) perturbation theory. Through comparisons of calculated geometrical properties of water trimer such as O-O distance, O-H-O angle, and torsional angle between O-H and O-O-O plane, the interplays among the nuclear quantum, thermal and electron correlation effects are analyzed quantitatively.
Fujita, Takatoshi*; Tanaka, Shigenori*; Fujiwara, Takayuki*; Kusa, Masaaki*; Mochizuki, Yuji*; Shiga, Motoyuki
Computational and Theoretical Chemistry, 997, p.7 - 13, 2012/10
Times Cited Count:9 Percentile:20.22(Chemistry, Physical)We have performed path integral Monte Carlo simulations for water trimer (H
O)
system. The electron correlation effects have been taken into account up to the level of third-order Moller-Plesset (MP3) perturbation theory. Through comparisons of calculated geometrical properties of water trimer such as O-O distance, O-H-O angle, and torsional angle between O-H and O-O-O plane, the interplays among the nuclear quantum, thermal and electron correlation effects are analyzed quantitatively.
Okamoto, Yasuharu*; Mochizuki, Yuji*; Tsushima, Satoru*
Chemical Physics Letters, 373(1-2), p.213 - 217, 2003/05
Times Cited Count:9 Percentile:27.45(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Tatewaki, Hiroshi*
Journal of Chemical Physics, 118(20), p.9201 - 9207, 2003/05
Times Cited Count:6 Percentile:17.79(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Tsushima, Satoru*
Chemical Physics Letters, 372(1-2), p.114 - 120, 2003/04
Times Cited Count:13 Percentile:38.68(Chemistry, Physical)no abstracts in English
Tatewaki, Hiroshi*; Mochizuki, Yuji*
Theoretical Chemistry Accounts, 109(1), p.40 - 42, 2003/01
Times Cited Count:24 Percentile:53.15(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Okamoto, Yasuharu*
Chemical Physics Letters, 359(3-4), p.331 - 336, 2002/06
Times Cited Count:2 Percentile:5.40(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Tatewaki, Hiroshi*
Journal of Chemical Physics, 116(20), p.8838 - 8842, 2002/05
Times Cited Count:16 Percentile:44.70(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Matsumura, Masayuki*; Yokura, Tetsuichi*; Hirahara, Yukio*; Imamura, Toshiyuki
Journal of Nuclear Science and Technology, 39(2), p.195 - 199, 2002/02
Times Cited Count:5 Percentile:33.93(Nuclear Science & Technology)no abstracts in English
Nakahara, Yoshinori; Suyama, Kenya; Inagawa, Jun; Nagaishi, Ryuji; Kurosawa, Setsumi; Kono, Nobuaki; Onuki, Mamoru; Mochizuki, Hiroki*
Nuclear Technology, 137(2), p.1 - 16, 2002/02
no abstracts in English
Mochizuki, Yuji*; Tatewaki, Hiroshi*
Chemical Physics, 273(2-3), p.135 - 148, 2001/11
Times Cited Count:23 Percentile:58.20(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji; gren, H.*
Chemical Physics Letters, 336(5-6), p.451 - 456, 2001/03
Times Cited Count:14 Percentile:40.69(Chemistry, Physical)no abstracts in English
Mochizuki, Yuji*; Koide, Hiroshi; Imamura, Toshiyuki; Takemiya, Hiroshi*
Journal of Synchrotron Radiation, 8(Part.2), p.1003 - 1005, 2001/03
no abstracts in English
Takemiya, Hiroshi*; Imamura, Toshiyuki; Koide, Hiroshi; Higuchi, Kenji; Tsujita, Yuichi; Yamagishi, Nobuhiro*; Matsuda, Katsuyuki*; Ueno, Koichi*; Hasegawa, Yukihiro*; Kimura, Toshiya; et al.
Proceedings of 4th International Conference on Supercomputing in Nuclear Applications (SNA 2000) (CD-ROM), 16 Pages, 2000/09
no abstracts in English
Mochizuki, Yuji
JAERI-Data/Code 99-015, 21 Pages, 1999/03
no abstracts in English
Mochizuki, Yuji;
Theoretical Chemistry Accounts, 101(4), p.292 - 296, 1999/03
Times Cited Count:11 Percentile:32.92(Chemistry, Physical)no abstracts in English