Cubic scaling algorithms for RPA correlation using interpolative separable density fitting

DOI10.1016/J.JCP.2017.09.012zbMath1375.81259arXiv1704.03609OpenAlexW2605509225MaRDI QIDQ1684991

Kyle Thicke, Jian-feng Lu

Publication date: 13 December 2017

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

Full work available at URL: https://arxiv.org/abs/1704.03609

zbMATH Keywords

fast algorithmscontour integralelectronic structure theoryrandom phase approximationdensity fitting

Mathematics Subject Classification ID

Numerical interpolation (65D05) Many-body theory; quantum Hall effect (81V70) Applications to the sciences (65Z05)

Related Items (4)

Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 ⋮ Numerical methods for Kohn–Sham density functional theory ⋮ Approximating pointwise products of Laplacian eigenfunctions ⋮ Fast optical absorption spectra calculations for periodic solid state systems

Uses Software

• DLMF

Cites Work

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• Fast algorithm for periodic density fitting for Bloch waves
• Pole-based approximation of the Fermi-Dirac function
• Exponentially convergent Fourier-Chebyshev quadrature schemes on bounded and infinite intervals
• NIST digital library of mathematical functions
• Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
• Computing $A^\alpha, \log(A)$, and Related Matrix Functions by Contour Integrals
• Thomas-fermi and related theories of atoms and molecules
• Adaptively Compressed Polarizability Operator for Accelerating Large Scale Ab Initio Phonon Calculations

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