A cubic scaling algorithm for excited states calculations in particle-particle random phase approximation

DOI10.1016/j.jcp.2017.03.055zbMath1376.81083arXiv1611.00854OpenAlexW2548868254MaRDI QIDQ1686453

Haizhao Yang, Jian-feng Lu

Publication date: 15 December 2017

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1611.00854

zbMATH Keywords

excited statesdensity fittingJacobi-Davidson eigensolverparticle-particle random phase approximation

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Many-body theory; quantum Hall effect (81V70)

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Uses Software

• JDQZ

Cites Work

• Fast algorithm for periodic density fitting for Bloch waves
• Jacobi-Davidson type methods for generalized eigenproblems and polynomial eigenproblems
• Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
• Randomized algorithms for the low-rank approximation of matrices
• GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
• A Jacobi--Davidson Iteration Method for Linear Eigenvalue Problems