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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 https://doi.org/10.1...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
https://doi.org/10.1103/physre...
Article . 1989 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Solution of Schrödinger’s equation for large systems

Authors: , Teter; , Payne; , Allan;

Solution of Schrödinger’s equation for large systems

Abstract

Iterative diagonalization of the Hamiltonian matrix is required to solve very large electronic-structure problems. Present algorithms are limited in their convergence rates at low wave numbers by stability problems associated with large changes in the Hartree potential, and at high wave numbers with large changes in the kinetic energy. A new method is described which includes the effect of density changes on the potentials and properly scales the changes in kinetic energy. The use of this method has increased the rate of convergence by over an order of magnitude for large problems.

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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!
955
Top 0.01%
Top 0.01%
Top 1%
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