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Ota, Yukihiro; Ruiz-Barragan, S.*; Machida, Masahiko; Shiga, Motoyuki
Chemical Physics Letters, 648, p.119 - 123, 2016/03
Times Cited Count：5 Percentile：16.81(Chemistry, Physical)We developed an interface program between a program suite for an automated search of chemical reaction pathways, GRRM, and a program package of semiempirical methods, MOPAC. A two-step structural search is proposed as an application of this interface program. A screening test is first performed by semiempirical calculations. Subsequently, a reoptimization procedure is done by ab initio or density functional calculations. We apply this approach to ion adsorption on cellulose. The computational efficiency is also shown for a GRRM search. The interface program is suitable for the structural search of large molecular systems for which semiempirical methods are applicable.
Kiriyama, Hiromitsu; Yamakawa, Koichi
Laser Physics, 16(4), p.666 - 672, 2006/04
Times Cited Count：4 Percentile：22.76(Optics)no abstracts in English
Kiriyama, Hiromitsu; Yamakawa, Koichi; Kageyama, Nobuto*; Miyajima, Hirofumi*; Kan, Hirofumi*; Yoshida, Hidetsugu*; Nakatsuka, Masahiro*
Japanese Journal of Applied Physics, Part 1, 44(10), p.7464 - 7471, 2005/10
Times Cited Count：2 Percentile：9.03(Physics, Applied)no abstracts in English
Kiriyama, Hiromitsu; Yamakawa, Koichi; Nagai, Toru; Kageyama, Nobuto*; Miyajima, Hirofumi*; Kan, Hirofumi*; Yoshida, Hidetsugu*; Nakatsuka, Masahiro*
Optics Letters, 28(18), p.1671 - 1673, 2003/09
Times Cited Count：29 Percentile：73.35(Optics)no abstracts in English
Kiriyama, Hiromitsu; Yamakawa, Koichi
Reza Gakkai Dai-313-Kai Kenkyukai Hokoku; Kokino Kotai Reza To Sono Oyo, p.1 - 6, 2003/09
no abstracts in English
Maruyama, Yoichiro; Oba, Masaki; Kato, Masaaki
JAERI-Tech 2002-004, 13 Pages, 2002/02
JAERI-Tech-2002-004.pdf:3.65MB
For the in-situ measurement of various substances in the atmosphere by using DIAL (Differential Absorption LIDAR) , a high repetition rate tunable laser is required to obtain data within a few seconds. As the pump source of the tunable laser, the performance of high repetition rate and high average power is indispensable. For the generation of high quality laser radiation, a laser oscillator with 1 kHz pulse repetition rate is made and seeded with very narrow linewidth single-longitudinal mode laser radiation from the outside of the oscillator cavity and its characteristics are studied. As the results, after the thermal equilibrium of the oscillator laser crystal, a single-longitudinal and near TEMoo transverse mode are realized at the pulse repetition rate between 0.5kHz and 1kHz. Single frequency operation is preserved by controlling the cavity length. The average output power of 3W (3mJ per pulse) is obtained. It is confirmed that this oscillator has enough performance as a oscillator of MOPA (Master Oscillator Power amplifier) system.
Maruyama, Yoichiro; Sugiyama, Akira; Ozu, Akira; Arisawa, Takashi
Opt. Commun., 87, p.105 - 108, 1992/00
Times Cited Count：1 Percentile：13.26(Optics)no abstracts in English
