PairDiagSph: generalization of the exact pairing diagonalization program for spherical systems

DOI10.1016/J.CPC.2021.107897MaRDI QIDQ6161939zbMATH OpenFDO

Authors Xiaoyu Liu, Chong Qi, Xin Guan, Zhong Liu

Publication date 5 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2009.12253

zbMATH Keywords

diagonalizationexact pairing solutionquasi-spin algebraspherical system

Mathematics Subject Classification ID

Diagonalization, Jordan forms (15A20) Estimates of eigenvalues in context of PDEs (35P15) Spherical and hyperbolic convexity (52A55) Iterative numerical methods for linear systems (65F10) Problem solving in the context of artificial intelligence (heuristics, search strategies, etc.) (68T20) Hamilton's equations (70H05) Software, source code, etc. for problems pertaining to quantum theory (81-04) Spinor and twistor methods applied to problems in quantum theory (81R25) (S)-matrix theory, etc. in quantum theory (81U20)

Abstract: We present an efficient program for the exact diagonalization solution of the pairing Hamiltonian in spherical systems with rotational invariance based on the SU(2) quasi-spin algebra. The basis vectors with quasi-spin symmetry considered are generated by using an iterative algorithm. Then the Hamiltonian matrix constructed on this basis is diagonalized with the Lanczos algorithm. All non-zero matrix elements of the Hamiltonian matrix are evaluated "on the fly" by the scattering operator and hash search acting on the basis vectors. The OpenMP parallel program thus developed, PairDiagSph, can efficiently calculate the ground-state eigenvalue and eigenvector of general spherical pairing Hamiltonians. Systems with dimension up to 10${}^8$ can be calculated in few hours on standard desktop computers.

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Cites work

• A restricted class of exact eigenstates of the pairing-force Hamiltonian
• Numerical methods for large eigenvalue problems
• PairDiag: an exact diagonalization program for solving general pairing Hamiltonians
• Thick-restart Lanczos method for large symmetric eigenvalue problems

Cited in

(4)

• An iterative approach for the exact solution of the pairing Hamiltonian
• Block-diagonalization of pairing Hamiltonians using spin transpositions
• PairDiag: an exact diagonalization program for solving general pairing Hamiltonians
• Matrix-product state approach to the generalized nuclear pairing Hamiltonian

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