PHYSICS. ASTRONOMY

Density of states definition via Green’s function

D. L. Vinokursky

North Caucasus State Technical University, 355029,Stavropol, 2/2, Kulakov street

Abstract: In this paper, the theory of recursion methods based on the Lanczos algorithm determines Green’s function of the molecular systems. The Lanczos basis simplifies the calculation of the band energy, density of states and forces for the complex molecular systems.

Keywords: recursion method, Lanczos algorithm, Green’s function, density of states.

UDC: 538.94; 519.6

Received: 06.09.2011

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