Path integral hybrid Monte Carlo algorithm for correlated Bose fluids.
Path integral hybrid Monte Carlo algorithm for correlated Bose fluids.
复制标题
相关玻色流体的路径积分混合蒙特卡罗算法。
DOI：
10.1063/1.1638997
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发表时间：
2004
期刊：
影响因子：
--
通讯作者：
Junji Tanaka
中科院分区：
文献类型：
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作者：
S. Miura;Junji Tanaka
提出了强关联玻色流体的路径积分混合蒙特卡罗（PIHMC）算法.这是我们以前的方法[S]的扩展版本。Miura和S. Okazaki，Chem. Phys. Lett. 308，115（1999）]应用于由非相互作用玻色子组成的模型系统。我们的PIHMC方法的相关玻色流体是由两个试验移动到样本路径变量描述系统坐标沿着虚时间和置换的粒子标签给出一个边界条件相对于虚时间。对于一个给定的置换路径变量产生的混合蒙特卡罗方法的基础上路径积分分子动力学技术。运动方程的路径变量的基础上制定的集体坐标表示的路径，分期变量，以提高采样效率。使用由Ceperley和Pollock [Phys. Rev. Lett. 56，351（1986）]。我们的PIHMC方法已成功地应用于液氦-4在一个状态点，该系统是在一个超流相。确定采样效率的参数以这样的方式进行优化，使得连续的PIHMC步骤之间的相关性最小化。
Path integral hybrid Monte Carlo (PIHMC) algorithm for strongly correlated Bose fluids has been developed. This is an extended version of our previous method [S. Miura and S. Okazaki, Chem. Phys. Lett. 308, 115 (1999)] applied to a model system consisting of noninteracting bosons. Our PIHMC method for the correlated Bose fluids is constituted of two trial moves to sample path-variables describing system coordinates along imaginary time and a permutation of particle labels giving a boundary condition with respect to imaginary time. The path-variables for a given permutation are generated by a hybrid Monte Carlo method based on path integral molecular dynamics techniques. Equations of motion for the path-variables are formulated on the basis of a collective coordinate representation of the path, staging variables, to enhance the sampling efficiency. The permutation sampling to satisfy Bose-Einstein statistics is performed using the multilevel Metropolis method developed by Ceperley and Pollock [Phys. Rev. Lett. 56, 351 (1986)]. Our PIHMC method has successfully been applied to liquid helium-4 at a state point where the system is in a superfluid phase. Parameters determining the sampling efficiency are optimized in such a way that correlation among successive PIHMC steps is minimized.
影响因子：
4.4
作者：
S. Miura;S. Okazaki
通讯作者：
S. Miura;S. Okazaki
在量子计算机上实现材料的真实模拟
DOI：
--
发表时间：
2020
期刊：
影响因子：
--
作者：
Wataru Mizukami;Wataru Mizukami;水上渉;水上渉;Wataru Mizukami
通讯作者：
Wataru Mizukami