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Iterative hypervirial-scaling method for obtaining wave functions and eigenvalues

✍ Scribed by Eduardo A. Castro

Publisher: John Wiley and Sons
Year: 1978
Tongue: English
Weight: 373 KB
Volume: 14
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560140302

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✦ Synopsis

Abstract

A procedure to improve trial wave functions is given in terms of the off‐diagonal hypervirial theorem. This procedure is closely related to the optimum scaling method which is valid for the diagonal hypervirial theorem. The second excited state of the one‐dimensional oscillator model is employed as an example, and improved wave functions and expectation values are calculated. The results are compared with previous values based on the diagonal hypervirial theorem.

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