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arXiv 1405.3755cond-mat.stat-mechcond-mat.str-elhep-thquant-ph
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多粒子系统的热纯量子态

Thermal Pure Quantum States of Many-Particle Systems

Masahiko Hyuga, Sho Sugiura, Kazumitsu Sakai, Akira Shimizu

摘要:

我们推广了统计力学的热纯量子(TPQ)公式,使得它适用于Hilbert空间为无穷维的系统。假设粒子系统,我们构建的巨正则TPQ(gTPQ)状态,这是对应的巨正则吉布斯状态的系综制定。gTPQ状态的单个实现给出了所有物理力学感兴趣的量,具有指数小的误差概率。这一公式不仅为量子统计力学提供了新的思路,而且对实际计算也有一定的帮助。作为一个例子,我们将其应用到哈伯德模型,在一个一维(1d)链和一个二维(2d)的三角晶格。对于一维链,在较宽的温度、化学势和在位相互作用范围内,我们的结果与精确解符合得很好。对于二维三角晶格,其确切的结果是未知的,我们得到可靠的结果在很宽的温度范围内。我们还发现,有限尺寸的影响是小得多的gTPQ状态比典型的TPQ(cTPQ)状态。这也表明,在系综制定的巨正则吉布斯状态的有限大小的系统模拟一个无限的系统比正则吉布斯状态好得多。

英文摘要:

We generalize the thermal pure quantum (TPQ) formulation of statistical mechanics, in such a way that it is applicable to systems whose Hilbert space is infinite dimensional. Assuming particle systems, we construct the grand-canonical TPQ (gTPQ) state, which is the counterpart of the grand-canonical Gibbs state of the ensemble formulation. A single realization of the gTPQ state gives all quantities of statistical-mechanical interest, with exponentially small probability of error. This formulation not only sheds new light on quantum statistical mechanics but also is useful for practical computations. As an illustration, we apply it to the Hubbard model, on a one-dimensional (1d) chain and on a two-dimensional (2d) triangular lattice. For the 1d chain, our results agree well with the exact solutions over wide ranges of temperature, chemical potential and the on-site interaction. For the 2d triangular lattice, for which exact results are unknown, we obtain reliable results over a wide range of temperature. We also find that finite-size effects are much smaller in the gTPQ state than in the canonical TPQ (cTPQ) state. This also shows that in the ensemble formulation the grand-canonical Gibbs state of a finite-size system simulates an infinite system much better than the canonical Gibbs state.

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