EDIpack: A parallel exact diagonalization package for quantum impurity problems
نویسندگان
چکیده
We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in Ref. [1] and enables massively parallel execution matrix-vector linear operations required by Lanczos Arnoldi algorithms. show that suitable Fock basis organization is crucial optimize inter-processors communication distributed memory setup reach sub-linear scaling sufficiently large systems. discuss details indicating how deal with multiple orbitals electron-phonon coupling. Finally, we outline download, installation functioning package. Program title: EDIpack CPC Library link program files: https://doi.org/10.17632/2hxhw9zjg9.1 Code Ocean capsule: https://codeocean.com/capsule/3537659 Licensing provisions: GPLv3 Programming language: Fortran, Python External dependencies: CMake (>=3.0.0), Scifortran, MPI Nature problem: solution multi-orbital systems at zero or low temperatures, including effective description lattice models strongly correlated electrons, are difficult determine. Solution method: Use compute lying spectrum evaluate dynamical correlation functions.
منابع مشابه
Exact diagonalization and Quantum Monte Carlo studies of quantum dots
We report exact diagonalization and diffusion quantum Monte Carlo calculations of quantum dots (QDs) in which energetics due to electron-electron interactions, magnetic field, and geometrical factors compete and induce interesting ground state configurations. The geometrical effects are generated by different confining potentials such as parabolic shaped, ring shaped, and disordered potentials....
متن کاملExact diagonalization of quantum lattice models on coprocessors
We implement the Lanczos algorithm on an Intel Xeon Phi coprocessor and compare its performance to a multi-core Intel Xeon CPU and an NVIDIA graphics processor. The Xeon and the Xeon Phi are parallelized with OpenMP and the graphics processor is programmed with CUDA. The performance is evaluated by measuring the execution time of a single step in the Lanczos algorithm. We study two quantum latt...
متن کاملField Theory Approach to Quantum Impurity Problems ∗
Quantum impurity problems occur in various areas of physics. Some examples are: an impurity spin in a metal (the Kondo problem), the two-impurity Kondo problem, a defect or impurity spin in a spin chain, tunnelling through a barrier in a quantum wire proton-monopole scattering (the Callan-Rubakov effect). Some common features of these problems are: 1. gapless “bulk” excitations (ie. far from th...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2022
ISSN: ['1879-2944', '0010-4655']
DOI: https://doi.org/10.1016/j.cpc.2021.108261