Enhancement and Extension of the OLCAO Method

Wai-yim Ching and Paul Rulis

in Electronic Structure Methods for Complex Materials

Published in print May 2012 | ISBN: 9780199575800
Published online September 2012 | e-ISBN: 9780191740992 | DOI:
Enhancement and Extension of the OLCAO Method

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The OLCAO method has undergone many evolutionary steps from its inception to the present day. Each step improved some aspect of the method such that it became more versatile, more efficient, or more easy to use. This chapter focuses on the future development of the OLCAO method and is divided into sections based on the same three categories of versatility, efficiency, and ease of use. While these sections are not completely orthogonal, the degree of overlap is relatively small. Many of the topics listed in this chapter are under current and active development. This list of topics should not be considered exhaustive but rather representative of the types of enhancements and extensions that are possible.

Keywords: versatility; further developments; efficiency; modulization; parallelization; interface control; user- friendly

Chapter.  10041 words. 

Subjects: Condensed Matter Physics

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