• NanoNET

  • Referenced in 2 articles [sw35709]
  • extendable Python framework for semi-empirical tight-binding models. We present a novel open-source ... method is based on the tight-binding method and non-equilibrium Green’s function theory ... providing facilities for efficient construction of tight-binding Hamiltonian matrices from a list of atomic ... block-tridiagonal forms. The framework implements a method based on kd-tree nearest-neighbour search...
  • edgecount

  • Referenced in 1 article [sw10233]
  • combination with density-functional theory or tight-binding method can also be helpful in correlating...
  • TBTK

  • Referenced in 4 articles [sw30075]
  • also enables method developers to create solvers for tight-binding, DFT, DMFT, quantum transport...
  • Z2pack

  • Referenced in 4 articles [sw20875]
  • possible band topologies. The method is based on tracking hybrid Wannier charge centers computed ... models, tight-binding models and ab initio calculations. We apply the method to compute...
  • CONQUEST

  • Referenced in 4 articles [sw02551]
  • system size ([MATHEMATICAL SCRIPT CAPITAL O](N ) methods) have been established for more than ... levels of precision, ranging from empirical tight-binding, through ab initio tight-binding, to full...
  • GREEN

  • Referenced in 1 article [sw12212]
  • functions of relaxed surfaces by the renormalization method. We present a subroutine package ... bulk within the framework of a tight-binding basis. The application of a highly convergent...
  • QuantumATK

  • Referenced in 1 article [sw37718]
  • calculations using density functional theory or tight-binding model Hamiltonians, and also offers bonded ... advanced modules, including Green’s-function methods for electron transport simulations and surface calculations, first...
  • LAPACK

  • Referenced in 1713 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Mathematica

  • Referenced in 6458 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Wannier90

  • Referenced in 13 articles [sw01010]
  • wannier90: A Tool for Obtaining Maximally-Localised Wannier...
  • L-BFGS

  • Referenced in 852 articles [sw03229]
  • Algorithm 778: L-BFGS-B Fortran subroutines for...
  • DLMF

  • Referenced in 2889 articles [sw04968]
  • NIST digital library of mathematical functions. The National...
  • ABINIT

  • Referenced in 53 articles [sw06111]
  • ABINIT is a package whose main program allows...
  • GAUSSIAN

  • Referenced in 202 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • nextnano

  • Referenced in 5 articles [sw11317]
  • nextnano: General Purpose 3-D Simulations. nextnano is...
  • Python

  • Referenced in 2183 articles [sw14460]
  • Python is a widely used high-level, general...
  • YAeHMOP

  • Referenced in 2 articles [sw14796]
  • YAEHMOP (Yet another extended huckel molecular orbital package...
  • TensorFlow

  • Referenced in 667 articles [sw15170]
  • TensorFlow™ is an open source software library for...
  • ISOTROPY

  • Referenced in 18 articles [sw16483]
  • ISOTROPY is a software package which applies group...