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PairDiag :
Abstract
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- 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 108, the calculation can be done within hours on standard desktop computers. Program summary: Program Title: PairDiag. Program Files doi: http://dx.doi.org/10.17632/dzzspfszsh.1 Licensing provisions: CC by NC 3.0. Programming language: Fortran 95. Nature of problem: The numerically exact solution of general pairing Hamiltonian can be solved by diagonalization in configuration spaces of fixed seniority. Solution method: The program constructs the seniority-zero space by the ‘01’ inversion algorithm, and diagonalizes the general pairing Hamiltonian by the Lanczos plus QR algorithm. Restrictions: The total number of orbits involved must be less than 63, and the dimension that can be calculated is restricted by the local RAM condition.
Subject headings
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Keyword
- Diagonalization
- General pairing Hamiltonian
- Lanczos algorithm
- Application programming interfaces (API)
- Eigenvalues and eigenfunctions
- FORTRAN (programming language)
- Ground state
- Iterative methods
- Personal computers
- Configuration space
- Exact diagonalization
- Hamiltonian matrix
- Inversion algorithm
- Scattering operators
- Search Algorithms
- Self-consistent mean field
- Hamiltonians
Publication and Content Type
- ref (subject category)
- art (subject category)
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