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

doi:10.1016/j.cpc.2021.107897

	PairDiagSph: Generalization of the exact pairing diagonalization program for spherical systems
	Liu, Xiao-Yu 1,2,3; Qi, Chong 3; Guan, Xin 4; Liu, Zhong 1
刊名	COMPUTER PHYSICS COMMUNICATIONS
	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
DOI	10.1016/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.
资助项目	China Scholarship Council[201700260183] ; Liaoning Provincial Universities Overseas Training Program, China[2019GJWYB024]
WOS关键词	FORCES
WOS研究方向	Computer Science ; Physics
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000642455800002
资助机构	China Scholarship Council ; Liaoning Provincial Universities Overseas Training Program, China
内容类型	期刊论文
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.