Kwant: a software package for quantum transport

被引：976

作者：

Groth, Christoph W. ^{[1
]}

Wimmer, Michael ^{[2
]}

Akhmerov, Anton R. ^{[2
,3
]}

Waintal, Xavier ^{[1
]}

机构：

[1] CEA INAC UJF Grenoble 1, SPSMS UMR E 9001, F-38054 Grenoble, France

[2] Leiden Univ, Inst Lorentz, NL-2300 RA Leiden, Netherlands

[3] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

来源：

NEW JOURNAL OF PHYSICS | 2014年 / 16卷

关键词：

quantum transport; tight-binding model; numerical simulation; FIELD;

D O I：

10.1088/1367-2630/16/6/063065

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Kwant is a Python package for numerical quantum transport calculations. It aims to be a user-friendly, universal, and high-performance toolbox for the simulation of physical systems of any dimensionality and geometry that can be described by a tight-binding model. Kwant has been designed such that the natural concepts of the theory of quantum transport (lattices, symmetries, electrodes, orbital/spin/electron-hole degrees of freedom) are exposed in a simple and transparent way. Defining a new simulation setup is very similar to describing the corresponding mathematical model. Kwant offers direct support for calculations of transport properties (conductance, noise, scattering matrix), dispersion relations, modes, wave functions, various Green's functions, and out-of-equilibrium local quantities. Other computations involving tight-binding Hamiltonians can be implemented easily thanks to its extensible and modular nature.

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