Stochastic surrogate Hamiltonian.
Stochastic surrogate Hamiltonian.
复制标题
随机代理哈密顿量。
DOI：
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发表时间：
2008
影响因子：
4.4
通讯作者：
R. Kosloff
中科院分区：
文献类型：
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作者：
G. Katz;D. Gelman;M. Ratner;R. Kosloff
代理哈密顿量是模拟由一个主系统耦合到一个浴槽组成的多体量子动力学的一个通用方案。该方法是基于一个有代表性的浴哈密顿组成的两级系统，能够模仿真正的系统浴动态到一个预先指定的时间。原来的代理哈密顿方法是有限的，因为获得收敛所需的希尔伯特空间的大小随时间呈指数增长的短时间动态。该方法通过随机交换浴模式与次级热库，可以模拟主系统从短时间到热平衡的量子动力学过程。通过对少量的实现求平均，得到了系统观测量的收敛值，避免了资源的指数增长。该方法被证明为平衡的分子振荡器与热浴。
The surrogate Hamiltonian is a general scheme to simulate the many body quantum dynamics composed of a primary system coupled to a bath. The method has been based on a representative bath Hamiltonian composed of two-level systems that is able to mimic the true system-bath dynamics up to a prespecified time. The original surrogate Hamiltonian method is limited to short time dynamics since the size of the Hilbert space required to obtain convergence grows exponentially with time. By randomly swapping bath modes with a secondary thermal reservoir, the method can simulate quantum dynamics of the primary system from short times to thermal equilibrium. By averaging a small number of realizations converged values of the system observables are obtained avoiding the exponential increase in resources. The method is demonstrated for the equilibration of a molecular oscillator with a thermal bath.