Inversion of Cyclic Matrices
- 1 August 1964
- journal article
- research article
- Published by AIP Publishing in Journal of Mathematical Physics
- Vol. 5 (8), 1001-1008
- https://doi.org/10.1063/1.1704201
Abstract
The inversion of the overlap matrix in LCAO calculations of crystals is discussed for the general case, when an arbitrary number of neighbors is taken into account. Of the several alternative methods that are possible in one dimension, one is singled out—which can be used as well in three dimensions—to calculate the inverse to any desired accuracy. Particular attention is paid to the numerical aspects of the problem.This publication has 7 references indexed in Scilit:
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- On the Calculation of Analytic Functions of Cyclic MatricesJournal of Mathematical Physics, 1962
- Inverse Overlap Matrix for Periodic Arrays of AtomsJournal of Mathematical Physics, 1962
- On the Calculation of the Inverse of the Overlap Matrix in Cyclic SystemsJournal of Mathematical Physics, 1960
- Numerical Integration Formulas for use with Weight Functions $x^2$ and $x/surd{overline{1 - x^2}}$Mathematical Tables and Other Aids to Computation, 1959
- Quantum theory of cohesive properties of solidsAdvances in Physics, 1956
- The Structure of Electronic Excitation Levels in Insulating CrystalsPhysical Review B, 1937