The analytical deconvolution technique for the green function recursion expansion
1986; Wiley; Volume: 134; Issue: 2 Linguagem: Inglês
10.1002/pssb.2221340225
ISSN1521-3951
AutoresU. H. Gläser, P. Rennert, J. Mašek, B. Velický,
Tópico(s)Inorganic Chemistry and Materials
ResumoAbstract The analytical properties of Green functions in the complex energy plane are utilized in an approximative continuation of the Green function from the line Im z = ε towards the real axis. This procedure acts as an effective but incomplete deconvolution for the spectral density. As a result, a well‐resolved but smooth spectrum is obtained even in case where it is exactly represented by a set of delta functions. This property is employed in solving the termination problem of the recursion method, and the applicability of the whole proposed calculational scheme is demonstrated on the LCAO calculation of the electronic density of states in the ordered intermetallic compound TiTc.
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