Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
91 (1989), S. 6195-6204
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The band-Lanczos algorithm is used to compute a few matrix elements of a resolvent, i.e., to compute 〈ψk||(ω−H)−1||ψl〉. Here H denotes a Hermitian matrix of large dimension. It is shown that the proposed method which is based on the band-Lanczos algorithm is more efficient than a method based on simple-Lanczos algorithm, e.g., than the residue algebra method. The performance of the Lanczos algorithm (both simple and band) for evaluating resolvents or other functions of H is discussed in some detail.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457438
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