The Recursion Method And Its Applications

The Recursion Method and Its Applications

This volume reviews recent advances in the development and application of the recursion method in computational solid state physics and elsewhere. It comprises the invited papers which were presented at a two-day conference at Imperial College, London during September 1984. The recursion method is based on the Lanczos algorithm for the tridiago nalisation of matrices, but it is much more than a straightforward numerical technique. It is widely regarded as the most elegant framework for a variety of calculations into which one may incorporate physical insights and a num ber of technical devices. The standard reference is Volume 35 of Solid State Physics, which contains all the early ideas of Heine, Haydock and others, upon which the method was established. The present volume provides the first review of subsequent developments. It also indicates where problems remain, or opinions differ, in the interpretation of the mathematical details or choice of practical techniques in applications. The field is still very li vely and much remains to be done, as the summary chapter clearly demonstra tes. We are grateful to the S. E. R. C. 's Collaborative Computational Project No. 9 on the electronic structure of solids and the Institute of Physics's Solid State Sub-committee for their sponsorship of the conference. We thank Angus MacKinnon for his help in conference organisation and Jacyntha Crawley for secretarial assistance. December 1984 David G. Pettifor Denis L. Weaire v Contents Part I Introduction Why Recur? By V.

The Recursion Method and Its Applications

The Recursion Method

In this monograph the recursion method is presented as a method for the analysis of dynamical properties of quantum and classical many-body systems in thermal equilibrium. Such properties are probed by many different experimental techniques used in materials science. Several representations and formulations of the recursion method are described in detail and documented with numerous examples, ranging from elementary illustrations for tutorial purposes to realistic models of interest in current research in the areas of spin dynamics and low-dimensional magnetism. The performance of the recursion method is calibrated by exact results in a number of benchmark tests and compared with the performance of other calculational techniques. The book addresses graduate students and researchers.