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Title: Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost

Journal Article · · Journal of Computational Physics

Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
DMS-1312659; DMS-0846501; FC02-13ER26134/DE-SC0009409
OSTI ID:
1247053
Journal Information:
Journal of Computational Physics, Journal Name: Journal of Computational Physics Vol. 302 Journal Issue: C; ISSN 0021-9991
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 48 works
Citation information provided by
Web of Science

References (24)

Reduced scaling in electronic structure calculations using Cholesky decompositions journal June 2003
Elimination, in electronic structure calculations, of redundant orbital products journal January 2008
Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O ( r6 ) to O ( r4 ) journal July 2014
Linear scaling density functional calculations via the continuous fast multipole method journal May 1996
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory journal July 2012
Simplifications in the generation and transformation of two-electron integrals in molecular calculations journal October 1977
The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r 4 ) scaling journal August 2013
Tensor hypercontraction. II. Least-squares renormalization journal December 2012
Randomized algorithms for the low-rank approximation of matrices journal December 2007
Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction journal May 2014
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions journal May 2012
RI-MP2: optimized auxiliary basis sets and demonstration of efficiency journal September 1998
The continuous fast multipole method journal November 1994
On first-row diatomic molecules and local density models journal January 1979
Linear scaling density fitting journal November 2006
Achieving Linear Scaling for the Electronic Quantum Coulomb Problem journal January 1996
Pseudospectral full configuration interaction journal August 1992
Solution of self-consistent field electronic structure equations by a pseudospectral method journal April 1985
Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2 journal March 2013
A fast randomized algorithm for the approximation of matrices journal November 2008
KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations journal March 2009
A fast algorithm for particle simulations journal December 1987
Integral approximations for LCAO-SCF calculations journal October 1993
An O ( N 3 ) implementation of Hedin's GW approximation for molecules journal August 2011

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