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arXiv 1306.6912quant-phphysics.chem-ph
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与时间无关的量子力学微扰理论的新进展

New Developments in Time-Independent Quantum-Mechanical Perturbation Theory

Gerald I. Kerley

摘要:

本文讨论了用微扰法求解与时间无关的薛定谔方程的两种新方法。第一个概念开始重写扰动方程的形式是密切相关的矩阵对角化方法。这使得标准(瑞利-薛定谔)方程的推导变得简单而紧凑。但它也导致了一个新的迭代求解方法,不是基于通常的幂级数展开。当未扰动系统是二重退化时,也可以使用迭代法。第二个概念与第一个概念有很大的不同,但与第一个概念是相容的,它是基于这样一个事实,即人们可以用具有相同本征值的合成哈密顿量来代替真正的哈密顿量。这种方法允许取消部分扰动,并减少非对角矩阵元素的大小,使级数更好地收敛。这些方法说明了三个扰动谐振子的问题-一个1-D振荡器的线性扰动,1-D振荡器的四次扰动,和扰动2-D振荡器,其中涉及简并态。迭代法和合成哈密顿方法显示出显着优于标准方法的结果。

英文摘要:

This report discusses two new ideas for using perturbation methods to solve the time-independent Schrödinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix diagonalization methods. That allows a simple, compact derivation of the standard (Rayleigh-Schrödinger) equations. But it also leads to a new iterative solution method that is not based on the usual power series expansion. The iterative method can also be used when the unperturbed system is two-fold degenerate. The second concept is quite different from the first but compatible with it. It is based on the fact that one can replace the true Hamiltonian with a synthetic Hamiltonian having the same eigenvalues. This approach allows one to cancel part of the perturbation and to reduce the size of the off-diagonal matrix elements, giving better convergence of the series. These methods are illustrated by application to three perturbed harmonic oscillator problems--a 1-D oscillator with a linear perturbation, a 1-D oscillator with a quartic perturbation, and a perturbed 2-D oscillator, which involves degenerate states. The iterative method and the synthetic Hamiltonian method are shown to give significantly better results than the standard method.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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