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Operator method for nonperturbative calculation of the thermodynamic values in quantum statistics: diatomic molecular gas

I D Feranchuk1 and A A Ivanov1,2

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Operator method and cumulant expansion are used for nonperturbative calculation of the partition function and the free energy in quantum statistics. It is shown for Boltzmann diatomic molecular gas with some model intermolecular potentials that the zeroth-order approximation of the proposed method interpolates the thermodynamic values with rather good accuracy in the entire range of both the Hamiltonian parameters and temperature. The systematic procedure for calculation of the corrections to the zeroth-order approximation is also considered.


PACS

02.60.Gf Algorithms for functional approximation

03.65.Db Functional analytical methods

05.70.Ce Thermodynamic functions and equations of state

03.65.Yz Decoherence; open systems; quantum statistical methods

02.10.Ud Linear algebra

MSC

80A10 Classical thermodynamics, including relativistic

81Q05 Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other quantum-mechanical equations

47J10 Nonlinear eigenvalue problems

Subjects

Mathematical physics

Computational physics

Statistical physics and nonlinear systems

Quantum information and quantum mechanics

Dates

Issue 42 (22 October 2004)

Received 10 January 2004, in final form 2 June 2004

Published 6 October 2004



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