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

文献类型：期刊论文

作者Liu, Xiao-Yu1,2,3; Qi, Chong3; Guan, Xin4; Liu, Zhong1
刊名COMPUTER PHYSICS COMMUNICATIONS
出版日期2021-06-01
卷号263页码:8
关键词Exact pairing solution Spherical system Quasi-spin algebra Diagonalization
ISSN号0010-4655
DOI10.1016/j.cpc.2021.107897
通讯作者Qi, Chong(chongq@kth.se)
英文摘要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. Program summary Program Title: PairDiagSph. CPC Library link to program files: https://doi.org/10.17632/t5txsg3s5g.1 Code Ocean capsule: https://codeocean.com/capsule/9159628 Licensing provisions: CC by NC 3.0. Programming language: Fortran 95. Nature of problem: The exact diagonalization of spherical pairing Hamiltonian can be achieved in the quasi-spin space. Solution method: The program generates the basis vectors via the adjacency excitation algorithm, and diagonalizes the spherical pairing Hamiltonian by the Lanczos + QR algorithm. Additional comments including restrictions and unusual features: The total number of spherical must be less than 64; The maximal dimension that can be handled is restricted by the local RAM capacity. (C) 2021 Elsevier B.V. All rights reserved.
WOS关键词FORCES
资助项目China Scholarship Council[201700260183] ; Liaoning Provincial Universities Overseas Training Program, China[2019GJWYB024]
WOS研究方向Computer Science ; Physics
语种英语
WOS记录号WOS:000642455800002
出版者ELSEVIER
资助机构China Scholarship Council ; Liaoning Provincial Universities Overseas Training Program, China
源URL[http://119.78.100.186/handle/113462/137577]  
专题中国科学院近代物理研究所
通讯作者Qi, Chong
作者单位1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Royal Inst Technol, Dept Phys, S-10405 Stockholm, Sweden
4.Liaoning Normal Univ, Dept Phys, Dalian 116029, Peoples R China
推荐引用方式
GB/T 7714		 Liu, Xiao-Yu,Qi, Chong,Guan, Xin,et al. PairDiagSph: Generalization of the exact pairing diagonalization program for spherical systems[J]. COMPUTER PHYSICS COMMUNICATIONS,2021,263:8.
APA Liu, Xiao-Yu,Qi, Chong,Guan, Xin,&Liu, Zhong.(2021).PairDiagSph: Generalization of the exact pairing diagonalization program for spherical systems.COMPUTER PHYSICS COMMUNICATIONS,263,8.
MLA Liu, Xiao-Yu,et al."PairDiagSph: Generalization of the exact pairing diagonalization program for spherical systems".COMPUTER PHYSICS COMMUNICATIONS 263(2021):8.

入库方式： OAI收割

来源：近代物理研究所

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