High order integration schemes on the unit sphere

B. Delley B. Delley
1996 Journal of Computational Chemistry 57 citations

Abstract

A method for refining high order numerical integration schemes is described. Particular focus is on integration schemes over the unit sphere with octahedral symmetry. The method is powerful enough that new integration schemes can be found from rough intuitive guesses. New schemes up to order 59 are presented.

Keywords

Unit sphereFocus (optics)Unit (ring theory)Order (exchange)Numerical integrationComputer scienceSymmetry (geometry)Applied mathematicsMathematicsGeometryMathematical analysisPhysics

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Publication Info

Year
1996
Type
article
Volume
17
Issue
9
Pages
1152-1155
Citations
57
Access
Closed

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B. Delley (1996). High order integration schemes on the unit sphere. Journal of Computational Chemistry , 17 (9) , 1152-1155. https://doi.org/10.1002/(sici)1096-987x(19960715)17:9<1152::aid-jcc7>3.0.co;2-r

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DOI
10.1002/(sici)1096-987x(19960715)17:9<1152::aid-jcc7>3.0.co;2-r