This article is cited in 9 papers

Equation of state calculations by using Liberman's model

V. G. Novikov, A. A. Ovechkin

Keldysh Institute of Applied Mathematics RAS

Abstract: The algorithm for calculation of self-consistent atomic potential taking into account electron resonant states is developed by using Liberman's model. Resonant states appear due to squeezing out bound states into continuum under the compression of matter. Such states are very important for calculation of thermodynamic functions, because they allow to obtain smooth dependences of pressure and internal energy over density of matter. The corresponding code RESEOS is developed and calculations of equations of state for aluminium and uranium in a wide range of temperatures and densities are fulfilled. The calculated Hugoniot curves are compared with experimental data.

Keywords: selfconsistent field models, equation of state, density of states resonances.

UDC: 536.715

Received: 15.04.2010

 English version: Mathematical Models and Computer Simulations, 2011, 3:3, 290–298

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