BetheSalpeter Eigenvalue Solver Package (BSEPACK) v0.1
Abstract
The BSEPACK contains a set of subroutines for solving the BetheSalpeter Eigenvalue (BSE) problem. This type of problem arises in this study of optical excitation of nanoscale materials. The BSE problem is a structured nonHermitian eigenvalue problem. The BSEPACK software can be used to compute all or subset of eigenpairs of a BSE Hamiltonian. It can also be used to compute the optical absorption spectrum without computing BSE eigenvalues and eigenvectors explicitly. The package makes use of the ScaLAPACK, LAPACK and BLAS.
 Authors:
 Publication Date:
 Research Org.:
 Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
 Sponsoring Org.:
 USDOE
 Contributing Org.:
 LAWRENCE BERKELEY NATIONAL LAB
 OSTI Identifier:
 1352907
 Report Number(s):
 BSEPACK; 005241WKSTN00
R&D Project: KJ0403000; 2017032
 DOE Contract Number:
 AC0205CH11231
 Resource Type:
 Software
 Software Revision:
 00
 Software Package Number:
 005241
 Software CPU:
 WKSTN
 Open Source:
 Yes
 Source Code Available:
 Yes
 Country of Publication:
 United States
Citation Formats
SHAO, MEIYEU, and YANG, CHAO. BetheSalpeter Eigenvalue Solver Package (BSEPACK) v0.1.
Computer software. https://www.osti.gov//servlets/purl/1352907. Vers. 00. USDOE. 25 Apr. 2017.
Web.
SHAO, MEIYEU, & YANG, CHAO. (2017, April 25). BetheSalpeter Eigenvalue Solver Package (BSEPACK) v0.1 (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1352907.
SHAO, MEIYEU, and YANG, CHAO. BetheSalpeter Eigenvalue Solver Package (BSEPACK) v0.1.
Computer software. Version 00. April 25, 2017. https://www.osti.gov//servlets/purl/1352907.
@misc{osti_1352907,
title = {BetheSalpeter Eigenvalue Solver Package (BSEPACK) v0.1, Version 00},
author = {SHAO, MEIYEU and YANG, CHAO},
abstractNote = {The BSEPACK contains a set of subroutines for solving the BetheSalpeter Eigenvalue (BSE) problem. This type of problem arises in this study of optical excitation of nanoscale materials. The BSE problem is a structured nonHermitian eigenvalue problem. The BSEPACK software can be used to compute all or subset of eigenpairs of a BSE Hamiltonian. It can also be used to compute the optical absorption spectrum without computing BSE eigenvalues and eigenvectors explicitly. The package makes use of the ScaLAPACK, LAPACK and BLAS.},
url = {https://www.osti.gov//servlets/purl/1352907},
doi = {},
year = {Tue Apr 25 00:00:00 EDT 2017},
month = {Tue Apr 25 00:00:00 EDT 2017},
note =
}

Structure preserving parallel algorithms for solving the Bethe–Salpeter eigenvalue problem
The Bethe–Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe–Salpeter equation in the context of computing exciton energies and states. A computational challenge is that at least half of the eigenvalues and the associated eigenvectors are desired in practice. In this paper, we establish the equivalence between Bethe–Salpeter eigenvalue problems and real Hamiltonian eigenvalue problems. Based on theoretical analysis, structure preserving algorithms for a class of Bethe–Salpeter eigenvalue problems are proposed. We also show that for this class of problems all eigenvalues obtained from the Tamm–Dancoff approximation are overestimated. In order to solve large scale problemsmore »Cited by 9 
nuTRLan User Guide Version 1.0: A HighPerformance Software Package for LargeScale Harmitian Eigenvalue Problems
The original software package TRLan, [TRLan User Guide], page 24, implements the thick restart Lanczos method, [Wu and Simon 2001], page 24, for computing eigenvalues {lambda} and their corresponding eigenvectors v of a symmetric matrix A: Av = {lambda}v. Its effectiveness in computing the exterior eigenvalues of a large matrix has been demonstrated, [LBNL42982], page 24. However, its performance strongly depends on the userspecified dimension of a projection subspace. If the dimension is too small, TRLan suffers from slow convergence. If it is too large, the computational and memory costs become expensive. Therefore, to balance the solution convergence and costs,more »
To initiate an order for this software, request consultation services, or receive further information, fill out the request form below. You may also reach us by email at: .
OSTI staff will begin to process an order for scientific and technical software once the payment and signed site license agreement are received. If the forms are not in order, OSTI will contact you. No further action will be taken until all required information and/or payment is received. Orders are usually processed within three to five business days.