PairDiag: An exact diagonalization program for solving general pairing Hamiltonians

Published: 21 May 2020 | Version 1 | DOI: 10.17632/dzzspfszsh.1
  • Xiao-Yu Liu,
    Xiao-Yu Liu
    Royal Institute of Technology, Stockholm
  • Chong Qi
    Physics and Astronomy
    Royal Institute of Technology, Stockholm

Description of this data

We present a program for solving exactly the general pairing Hamiltonian based on diagonalization. The program generates the seniority-zero shell-model-like basis vectors via the ‘01’ inversion algorithm. The Hamiltonian matrix is constructed in this seniority-zero space. The program evaluates all non-zero elements of the Hamiltonian matrix “on the fly” using the scattering operator and a search algorithm. The matrix is diagonalized by using the iterative Lanczos algorithm. The OpenMP parallel program thus developed, PairDiag, can efficiently calculate the ground-state eigenvalue and eigenvector of the general pairing Hamiltonian for both the even-mass and the odd-mass system. The program is packaged in a Fortran module, which makes it easy to use the program to replace the BCS approximation in standard self-consistent mean field calculations. For systems with dimension around 10^8, the calculation can be done within hours on standard desktop computers.

Experiment data files

This data is associated with the following publication:

PairDiag: An exact diagonalization program for solving general pairing Hamiltonians

Published in: Computer Physics Communications

Latest version

  • Version 1


    Published: 2020-05-21

    DOI: 10.17632/dzzspfszsh.1

    Cite this dataset

    Liu, Xiao-Yu; Qi, Chong (2020), “PairDiag: An exact diagonalization program for solving general pairing Hamiltonians”, Mendeley Data, v1


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Nuclear Physics, Computational Physics


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