论文标题

关于雷利 - 里兹变分的方法

On the Rayleigh-Ritz variational method

论文作者

Fernández, Francisco M.

论文摘要

我们简单地证明了一个众所周知的事实,即雷利 - 里兹(Rayleigh-Ritz)变异方法提供的近似特征值越来越准确地与确切的上限。为此,我们求助于大多数有关量子化学教科书中提到的变异原理,以及一组知名的投影算子。我们认为目前的方法可能适合于量子力学或量子化学的高级课程。

We give a simple proof of the well known fact that the approximate eigenvalues provided by the Rayleigh-Ritz variational method are increasingly accurate upper bounds to the exact ones. To this end, we resort to the variational principle, mentioned in most textbooks on quantum chemistry, and to a well known set of projection operators. We think that present approach may be suitable for an advanced course on quantum mechanics or quantum chemistry.

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