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Journal Articles

$$omega N$$ scattering length from $$omega$$ photoproduction on the proton near the reaction threshold

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:45.12(Physics, Nuclear)

Journal Articles

${it Ab initio}$ path integral Monte Carlo simulations for water trimer with electron correlation effects

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 (H$$_2$$O)$$_3$$ system. The electron correlation effects have been taken into account up to the level of third-order M${o}$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.

Journal Articles

${it Ab initio}$ path integral Monte Carlo simulations for water trimer with electron correlation effects

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:21.13(Chemistry, Physical)

We have performed ${it ab initio}$ path integral Monte Carlo simulations for water trimer (H$$_2$$O)$$_3$$ 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.

Journal Articles

Theoretical study of hydrolysis reactions of tetravalent thorium ion

Okamoto, Yasuharu*; Mochizuki, Yuji*; Tsushima, Satoru*

Chemical Physics Letters, 373(1-2), p.213 - 217, 2003/05

 Times Cited Count:8 Percentile:24.96(Chemistry, Physical)

no abstracts in English

Journal Articles

On the electronic structure of CmF$$_{{it n}}$$(${it n}$=1-4) by all-electron Dirac-Hartree-Fock calculations

Mochizuki, Yuji*; Tatewaki, Hiroshi*

Journal of Chemical Physics, 118(20), p.9201 - 9207, 2003/05

 Times Cited Count:6 Percentile:18.14(Chemistry, Physical)

no abstracts in English

Journal Articles

On the electronic structures of Th$$^{4+}$$ and Ac$$^{3+}$$ hydrate models

Mochizuki, Yuji*; Tsushima, Satoru*

Chemical Physics Letters, 372(1-2), p.114 - 120, 2003/04

 Times Cited Count:13 Percentile:39.19(Chemistry, Physical)

no abstracts in English

Journal Articles

Comments on relativistic basis sets

Tatewaki, Hiroshi*; Mochizuki, Yuji*

Theoretical Chemistry Accounts, 109(1), p.40 - 42, 2003/01

 Times Cited Count:23 Percentile:52.43(Chemistry, Physical)

no abstracts in English

Journal Articles

Four-component relativistic calculations on the mono-ammine complexes of trivalent f$$^{0}$$, f$$^{7}$$, and f$$^{14}$$ ions

Mochizuki, Yuji*; Okamoto, Yasuharu*

Chemical Physics Letters, 359(3-4), p.331 - 336, 2002/06

 Times Cited Count:2 Percentile:5.55(Chemistry, Physical)

no abstracts in English

Journal Articles

On the electronic structure of Cm(H$$_{2}$$O)$$_{n}^{3+}$$(n=1, 2, 4, 6) by all-electron Dirak-Hartree-Fock calculations

Mochizuki, Yuji*; Tatewaki, Hiroshi*

Journal of Chemical Physics, 116(20), p.8838 - 8842, 2002/05

 Times Cited Count:16 Percentile:45.25(Chemistry, Physical)

no abstracts in English

Journal Articles

Vectorization of direct Fock matrix construction in DIRAC-DHF calculations

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:34.58(Nuclear Science & Technology)

no abstracts in English

Journal Articles

Nuclide composition benchmark data set for verifying burnup codes on spent light water reactor fuels

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

Journal Articles

Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions

Mochizuki, Yuji*; Tatewaki, Hiroshi*

Chemical Physics, 273(2-3), p.135 - 148, 2001/11

 Times Cited Count:23 Percentile:58.82(Chemistry, Physical)

no abstracts in English

Journal Articles

Polarizability of silicon clusters

Mochizuki, Yuji; ${AA}$gren, H.*

Chemical Physics Letters, 336(5-6), p.451 - 456, 2001/03

 Times Cited Count:14 Percentile:41.27(Chemistry, Physical)

no abstracts in English

Journal Articles

HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative

Mochizuki, Yuji*; Koide, Hiroshi; Imamura, Toshiyuki; Takemiya, Hiroshi*

Journal of Synchrotron Radiation, 8(Part.2), p.1003 - 1005, 2001/03

no abstracts in English

Journal Articles

Software environment for local area metacomputing

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

JAEA Reports

A Molecular orbital study on the oxidative decomposition of HFC-32

Mochizuki, Yuji

JAERI-Data/Code 99-015, 21 Pages, 1999/03

JAERI-Data-Code-99-015.pdf:0.84MB

no abstracts in English

Journal Articles

Theoretical spectroscopic constants of the GaN molecule

Mochizuki, Yuji; *

Theoretical Chemistry Accounts, 101(4), p.292 - 296, 1999/03

 Times Cited Count:11 Percentile:33.33(Chemistry, Physical)

no abstracts in English

17 (Records 1-17 displayed on this page)
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