The Hypernetted Chain Equations for Periodic Systems

Martin Panholzer

doi:10.1007/s10909-017-1771-5

The Hypernetted Chain Equations for Periodic Systems

Martin Panholzer

Department of Many Particle Systems

Research output: Contribution to journal › Article › peer-review

Abstract

Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources.

Original language	English
Pages (from-to)	639-645
Number of pages	7
Journal	Journal of Low Temperature Physics
Volume	187
Issue number	5-6
DOIs	https://doi.org/10.1007/s10909-017-1771-5
Publication status	Published - 01 Jun 2017

Fields of science

103 Physics, Astronomy

JKU Focus areas

Engineering and Natural Sciences (in general)

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10.1007/s10909-017-1771-5

Cite this

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title = "The Hypernetted Chain Equations for Periodic Systems",

abstract = "Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources.",

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AB - Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources.

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DO - 10.1007/s10909-017-1771-5

M3 - Article

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EP - 645

JO - Journal of Low Temperature Physics

JF - Journal of Low Temperature Physics

IS - 5-6

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The Hypernetted Chain Equations for Periodic Systems

Abstract

Fields of science

JKU Focus areas

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