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arXiv math-ph/0306012math-phcond-mat.stat-mechmath.MPphysics.chem-ph
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用路径积分方法计算密度矩阵的任意多项式阶短时近似的存在性

Upon the existence of short-time approximations of any polynomial order for the computation of density matrices by path integral methods

Cristian Predescu

摘要:

在这篇文章中,我提供了重要的数学证据,支持存在的短期近似的任何多项式阶的计算密度矩阵的物理系统描述的任意光滑和有界从下面的潜力。而对于定理2,这是“实验”,我只提供了一个“物理学家”的证明,我相信目前的发展是数学上的声音。作为验证,我显式地构造了两个收敛阶分别为3和4的密度矩阵的短时近似。此外,在附录中,我推导出梯形Trotter路径积分技术的收敛常数。然后通过数值模拟验证了收敛阶数和收敛常数。虽然这两个短时间的近似构造是肯定感兴趣的物理学家和化学家参与蒙特卡罗路径积分模拟,本文也是针对数学界,谁可能会发现有趣的结果,值得探讨。最后,我讨论了目前的研究结果的影响,在实时费曼路径积分模拟中出现的动力学符号问题的可解性。

英文摘要:

In this article, I provide significant mathematical evidence in support of the existence of short-time approximations of any polynomial order for the computation of density matrices of physical systems described by arbitrarily smooth and bounded from below potentials. While for Theorem 2, which is ``experimental'', I only provide a ``physicist's'' proof, I believe the present development is mathematically sound. As a verification, I explicitly construct two short-time approximations to the density matrix having convergence orders 3 and 4, respectively. Furthermore, in the Appendix, I derive the convergence constant for the trapezoidal Trotter path integral technique. The convergence orders and constants are then verified by numerical simulations. While the two short-time approximations constructed are of sure interest to physicists and chemists involved in Monte Carlo path integral simulations, the present article is also aimed at the mathematical community, who might find the results interesting and worth exploring. I conclude the paper by discussing the implications of the present findings with respect to the solvability of the dynamical sign problem appearing in real-time Feynman path integral simulations.

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