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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Theoretica Chimica A...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Theoretica Chimica Acta
Article . 1973 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
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Integration points for the reduction of boundary conditions

Authors: N. C. Handy; S. F. Boys;

Integration points for the reduction of boundary conditions

Abstract

An analysis of a method for the numerical evaluation of the integral \(\int\limits_a^b { f\left( x \right)} dx\) is presented. The method introduces a change of variable, x = x(q), with the property that dnx/dqnis zero at x = a, x = b for n = 0, 1, 2,... N, where N is an integer to be chosen. The Euler-Maclaurin formula shows that the resulting integral in the variable q is ideally suited for numerical integration, using equally spaced points and equal weights in q-space. Examples are given for various integrals which occur in quantum chemistry and applications to more than one dimension are discussed.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
26
Top 10%
Top 10%
Average
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