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Multiple Scattering Theory for Space Filling Potentials

Published online by Cambridge University Press:  16 February 2011

W. H. Butler ,
R. G. Brown  and
R. K. Nesbet
W. H. Butler
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6114
R. G. Brown
Affiliation:
Duke University Physics Department, Durham, NC 27706
R. K. Nesbet
Affiliation:
IBM Research Division, Almaden Research Center, 650 Harry Road, San Jose CA 95120-6099
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Abstract

Multiple scattering theory (MST) provides an efficient technique for solving the wave equation for the special case of muffin-tin potentials. Here MST is extended to treat space filling non- muffin tin potentials and its validity, accuracy and efficiency are tested by application of the two dimensional empty lattice test. For this test it is found that the traditional formulation of MST does not converge as the number of partial waves is increased. A simple modification of MST, however, allows this problem to be solved exactly and efficiently.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 27
Copyright
Copyright © Materials Research Society 1990

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References

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