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NESSi :
NESSi : The Non-Equilibrium Systems Simulation package
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- Schüler, Michael (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland; Stanford Institute for Materials and Energy Sciences, SLAC & Stanford University, Stanford, USA,Stanford University,Université de Fribourg (UNIFR),University of Fribourg (UNIFR)
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- Golez, Denis (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland; Center for Computational Quantum Physics, Flatiron Institute, New York, USA,Université de Fribourg (UNIFR),University of Fribourg (UNIFR),Flatiron Institute
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- Murakami, Yuta (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland; Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo, Japan,Université de Fribourg (UNIFR),University of Fribourg (UNIFR),Tokyo Institute of Technology
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- Bittner, Nikolaj (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland,Université de Fribourg (UNIFR),University of Fribourg (UNIFR)
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- Herrmann, Andreas (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland,Université de Fribourg (UNIFR),University of Fribourg (UNIFR)
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- Strand, Hugo, 1983- (författare)
- Center for Computational Quantum Physics, Flatiron Institute, New York, USA; Department of Physics, Chalmers University of Technology, Gothenburg, Sweden,Chalmers tekniska högskola,Chalmers University of Technology,Flatiron Institute
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- Werner, Philipp (författare)
- Department of Physics, University of Fribourg, Fribourg, Switzerland,Université de Fribourg (UNIFR),University of Fribourg (UNIFR)
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- Eckstein, Martin (författare)
- Department of Physics, University of Erlangen-Nürnberg, Erlangen, Germany,Friedrich-Alexander-Universität Erlangen Nurnberg (FAU)
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(creator_code:org_t)
- Amsterdam : Elsevier, 2020
- 2020
- Engelska.
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Ingår i: Computer Physics Communications. - Amsterdam : Elsevier. - 0010-4655 .- 1879-2944. ; 257
- Relaterad länk:
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http://arxiv.org/pdf...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- The nonequilibrium dynamics of correlated many-particle systems is of interest in connection with pump–probe experiments on molecular systems and solids, as well as theoretical investigations of transport properties and relaxation processes. Nonequilibrium Green’s functions are a powerful tool to study interaction effects in quantum many-particle systems out of equilibrium, and to extract physically relevant information for the interpretation of experiments. We present the open-source software package NESSi (The Non-Equilibrium Systems Simulation package) which allows to perform many-body dynamics simulations based on Green’s functions on the L-shaped Kadanoff–Baym contour. NESSi contains the library libcntr which implements tools for basic operations on these nonequilibrium Green’s functions, for constructing Feynman diagrams, and for the solution of integral and integro-differential equations involving contour Green’s functions. The library employs a discretization of the Kadanoff–Baym contour into time points and a high-order implementation of integration routines. The total integrated error scales up to , which is important since the numerical effort increases at least cubically with the simulation time. A distributed-memory parallelization over reciprocal space allows large-scale simulations of lattice systems. We provide a collection of example programs ranging from dynamics in simple two-level systems to problems relevant in contemporary condensed matter physics, including Hubbard clusters and Hubbard or Holstein lattice models. The libcntr library is the basis of a follow-up software package for nonequilibrium dynamical mean-field theory calculations based on strong-coupling perturbative impurity solvers.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- Numerical simulations
- Nonequilibrium dynamics of quantum
- many-body problems
- Keldysh formalism
- Kadanoff–Baymequations
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