Released-phase quantum Monte Carlo method
Released-phase quantum Monte Carlo method
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DOI：
10.1103/physreve.55.6202
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发表时间：
1997-05
影响因子：
2.4
通讯作者：
Matthew D. Jones;Gerardo Rodríguez Ortíz;D. Ceperley
中科院分区：
文献类型：
--
作者：
Matthew D. Jones;Gerardo Rodríguez Ortíz;D. Ceperley
用于计算基态和激发态性质的相关函数蒙特卡罗方法扩展到复杂的哈密顿量，并用于计算大范围磁场中的中性氦的光谱，这是天体物理学特别感兴趣的系统。虚时间中的相关函数通过随机游走的一组试验函数进行评估，随机游走的动力学由虚时间薛定谔方程控制。通过对相关函数矩阵进行对角化来估计准确的能谱和其他期望。利用这种{open_quotes}释放相{close_quotes}蒙特卡罗方法的精确结果，我们评估了强磁场中氦原子的固定相位量子蒙特卡罗和Hartree-Fock方法的准确性。 {版权} {ital 1997} {ital 美国物理学会}
The correlation function Monte Carlo method for calculating ground and excited state properties is extended to complex Hamiltonians and used to calculate the spectrum of neutral helium in a wide range of magnetic fields, a system of particular interest in astrophysics. Correlation functions in imaginary time are evaluated for a set of trial functions over a random walk whose dynamics is governed by the imaginary-time Schr{umlt o}dinger equation. Estimates of the exact energy spectrum and other expectations are made by diagonalizing the matrix of correlation functions. Using the exact results of this {open_quotes}released-phase{close_quotes} Monte Carlo approach, we assess the accuracy of the fixed-phase quantum Monte Carlo and Hartree-Fock methods for the helium atom in strong magnetic fields. {copyright} {ital 1997} {ital The American Physical Society}