Generalized polynomial expansion of Green's function with applications to electronic structure calculations

Details Generalized polynomial expansion of Green's function with applications to electronic structure calculations Generalized polynomial expansion of Green's function with applications to electronic structure calculations

Jun 2000

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2000aipc..519..350k&link_type=abstract

STATISTICAL PHYSICS: Third Tohwa University International Conference. AIP Conference Proceedings, Volume 519, pp. 350-352 (2000

Physics

Approximations And Expansions

Scientific paper

An efficient scheme is introduced to calculate the Green function on the basis of polynomials expansion. The scheme has the following advantages: (i) it is possible to calculate both the diagonal and off-diagonal elements of the Green function, (ii) applicable to the system with discrete spectrum, (iii) integrated density of states can also be obtained by the same algorithm. Applications are made to model systems with discrete spectrum. Results of a preliminary ab initio calculations for a bulk system are also demonstrated. .

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