Quantum-mechanical kinetic energy transformation

A. J. Freeman; P. O. Löwdin

doi:10.1103/PhysRev.111.1212

Quantum-mechanical kinetic energy transformation

A. J. Freeman^*, P. O. Löwdin

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

It is shown that by a transformation of the usual expression for the kinetic energy matrix elements a simpler formula results which yields, for numerical wave functions, higher numerical accuracy for the kinetic energy than has previously been obtained. The derivation of the transformation and the numerical results of several applications are presented.

Original language	English (US)
Pages (from-to)	1212-1213
Number of pages	2
Journal	Physical Review
Volume	111
Issue number	5
DOIs	https://doi.org/10.1103/PhysRev.111.1212
State	Published - 1958

ASJC Scopus subject areas

General Physics and Astronomy

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10.1103/PhysRev.111.1212

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title = "Quantum-mechanical kinetic energy transformation",

abstract = "It is shown that by a transformation of the usual expression for the kinetic energy matrix elements a simpler formula results which yields, for numerical wave functions, higher numerical accuracy for the kinetic energy than has previously been obtained. The derivation of the transformation and the numerical results of several applications are presented.",

author = "Freeman, {A. J.} and L{\"o}wdin, {P. O.}",

year = "1958",

doi = "10.1103/PhysRev.111.1212",

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AU - Freeman, A. J.

AU - Löwdin, P. O.

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DO - 10.1103/PhysRev.111.1212

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JO - Physical Review

JF - Physical Review

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Quantum-mechanical kinetic energy transformation

Abstract

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