Development of dynamical simulation method for quantum liquids and its extension to identical particle systems
Development of dynamical simulation method for quantum liquids and its extension to identical particle systems
批准号:
21750001
负责人:
NAKAYAMA Akira
金额:
$2.91万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Young Scientists (B)
财政年份:
2009
资助国家:
日本
项目状态:
已结题
起止时间:
2009 至 2011
中文摘要
我们发展了一种新的方法来计算量子液体的时间关联函数,最终目的是获得数值精确解。该方法基于团簇展开技术,整个系统的复时间传播子由少数几个粒子系统的复时间传播子构造而成,并得到了相当准确的计算。我们将这种方法应用于液氢和液氦的时间关联函数,并在较短的时间范围内成功地获得了收敛的结果。并将其推广到全同粒子系统(玻色粒子和费米粒子),详细考察了粒子交换对时间关联函数的影响。
英文摘要
We have developed a novel approach to calculate time correlation functions for quantum liquids with the ultimate goal of obtaining numerically exact solutions. This method is based on the cluster expansion technique and the complex-time propagator of the whole system is constructed by those of a few particles systems, which are evaluated quite accurately. We have applied this method to time correlation functions of liquid para-hydrogen and liquid helium and succeeded in obtaining converged results for relatively short-time regions. The extension to identical particle systems(Bose and Fermi particles) is also carried and the effects of particle exchanges on the time correlation functions are examined in detail.
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Efficient sampling for ab initio Monte Carlo simulations of molecular clusters using an auxiliary potential energy surface
使用辅助势能面对分子簇进行从头蒙特卡罗模拟的有效采样
DOI:
--
发表时间:
2010
期刊:
影响因子:
--
作者:
[竹内勝彦, 一戸雅聡, 関口章, A.Nakayama]
通讯作者:
A.Nakayama
Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface
使用插值势能面对分子簇进行从头蒙特卡罗模拟的有效采样
DOI:
--
发表时间:
2009
期刊:
J. Chem. Phys.
影响因子:
--
作者:
[A. Nakayama, N. Seki, and T. Taketsugu]
通讯作者:
and T. Taketsugu
DOI:
10.1021/jp203415m
发表时间:
2011-08-18
期刊:
JOURNAL OF PHYSICAL CHEMISTRY A
影响因子:
2.9
作者:
[Nakayama, Akira, Taketsugu, Tetsuya]
通讯作者:
Taketsugu, Tetsuya
Computational study of relaxation pathways in electronically excited states of dye molecules in the gas and solution phases
气相和溶液相染料分子电子激发态弛豫路径的计算研究
DOI:
--
发表时间:
2011
期刊:
影响因子:
--
作者:
[Hirohisa Ohmiya, Umi Yokobori, Yusuke Makida, Masaya Sawamura, A.Nakayama]
通讯作者:
A.Nakayama
Competing effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices
基质隔离光谱中稀有气体原子的竞争效应:以 Xe 和 Ar 基质中 BeO 振动位移为例
DOI:
--
发表时间:
2012
期刊:
J. Chem. Phys.
影响因子:
--
作者:
[A. Nakayama, K. Niimi, Y. Ono, and T. Taketsugu]
通讯作者:
and T. Taketsugu
共 8 条
A study on a qualitative and objective assessment tool for foreign language activities: Focusing on Japanese elementary school students with special educational needs
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批准号:26370729
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$2.83万
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财政年份:2014
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负责人:NAKAYAMA Akira
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依托单位:
Foreign Language Activities in Special Needs Education: fundamental issues on some focal points and ways of supporting teachers
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批准号:23520749
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$2.75万
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财政年份:2011
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负责人:NAKAYAMA Akira
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依托单位:
Mathematical formulation of bioheat transfer based on the volume averaging theory, and its development and verification of the multi-scale analytical model
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批准号:22360088
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$11.73万
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财政年份:2010
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负责人:NAKAYAMA Akira
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依托单位:
A fundamental study on Non-linguistic factors of English learners in Japanese elementary schools
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批准号:20720151
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项目类别:Grant-in-Aid for Young Scientists (B)
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资助金额:$0.67万
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财政年份:2008
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负责人:NAKAYAMA Akira
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依托单位:
Theoretical modeling and experimental verification of thermal dispersion for its applications in porous media and exploration of bio-transfer mechanism
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批准号:19360099
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$11.73万
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财政年份:2007
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负责人:NAKAYAMA Akira
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依托单位:
Micro- and macroscopic investigation and mathematical modeling of heat transfer within a porous medium layer
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批准号:12450085
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$7.87万
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财政年份:2000
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负责人:NAKAYAMA Akira
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依托单位:
Numerical prediction of underground water contamination based on a multiphase mixture model
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批准号:10650207
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$1.28万
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财政年份:1998
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负责人:NAKAYAMA Akira
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依托单位:
Direct numerical simulation and macroscopic modeling of heat and fluid flow in porous media
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批准号:06650241
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项目类别:Grant-in-Aid for General Scientific Research (C)
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资助金额:$1.28万
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财政年份:1994
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负责人:NAKAYAMA Akira
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依托单位:
Flow and heat transfer mechanism in the vicinity of the interface between the porous and fluid layers
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批准号:01550172
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项目类别:Grant-in-Aid for General Scientific Research (C)
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资助金额:$1.09万
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财政年份:1989
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负责人:NAKAYAMA Akira
-
依托单位:
海外基金