Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

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

Authors:
;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
OSTI Identifier:
1247053
Grant/Contract Number:  
DMS-1312659; DMS-0846501; FC02-13ER26134/DE-SC0009409
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Physics
Additional Journal Information:
Journal Name: Journal of Computational Physics Journal Volume: 302 Journal Issue: C; Journal ID: ISSN 0021-9991
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

Citation Formats

Lu, Jianfeng, and Ying, Lexing. Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost. United States: N. p., 2015. Web. doi:10.1016/j.jcp.2015.09.014.
Copy to clipboard
Lu, Jianfeng, & Ying, Lexing. Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost. United States. https://doi.org/10.1016/j.jcp.2015.09.014
Copy to clipboard
Lu, Jianfeng, and Ying, Lexing. Tue . "Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost". United States. https://doi.org/10.1016/j.jcp.2015.09.014.
Copy to clipboard
@article{osti_1247053,
title = {Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost},
author = {Lu, Jianfeng and Ying, Lexing},
abstractNote = {},
doi = {10.1016/j.jcp.2015.09.014},
journal = {Journal of Computational Physics},
number = C,
volume = 302,
place = {United States},
year = {Tue Dec 01 00:00:00 EST 2015},
month = {Tue Dec 01 00:00:00 EST 2015}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Accepted Manuscript (Publisher)
Publisher's Version of Record
https://doi.org/10.1016/j.jcp.2015.09.014
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 48 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Reduced scaling in electronic structure calculations using Cholesky decompositions
journal, June 2003

  • Koch, Henrik; Sánchez de Merás, Alfredo; Pedersen, Thomas Bondo
  • The Journal of Chemical Physics, Vol. 118, Issue 21
  • DOI: 10.1063/1.1578621

Elimination, in electronic structure calculations, of redundant orbital products
journal, January 2008

  • Foerster, D.
  • The Journal of Chemical Physics, Vol. 128, Issue 3
  • DOI: 10.1063/1.2821021

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O ( r   6 ) to O ( r   4 )
journal, July 2014

  • Shenvi, Neil; van Aggelen, Helen; Yang, Yang
  • The Journal of Chemical Physics, Vol. 141, Issue 2
  • DOI: 10.1063/1.4886584

Linear scaling density functional calculations via the continuous fast multipole method
journal, May 1996

  • White, Christopher A.; Johnson, Benny G.; Gill, Peter M. W.
  • Chemical Physics Letters, Vol. 253, Issue 3-4
  • DOI: 10.1016/0009-2614(96)00175-3

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
journal, July 2012

  • Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.
  • The Journal of Chemical Physics, Vol. 137, Issue 4
  • DOI: 10.1063/1.4732310

Simplifications in the generation and transformation of two-electron integrals in molecular calculations
journal, October 1977

  • Beebe, Nelson H. F.; Linderberg, Jan
  • International Journal of Quantum Chemistry, Vol. 12, Issue 4
  • DOI: 10.1002/qua.560120408

The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r 4 ) scaling
journal, August 2013

  • Shenvi, Neil; van Aggelen, Helen; Yang, Yang
  • The Journal of Chemical Physics, Vol. 139, Issue 5
  • DOI: 10.1063/1.4817184

Tensor hypercontraction. II. Least-squares renormalization
journal, December 2012

  • Parrish, Robert M.; Hohenstein, Edward G.; Martínez, Todd J.
  • The Journal of Chemical Physics, Vol. 137, Issue 22
  • DOI: 10.1063/1.4768233

Randomized algorithms for the low-rank approximation of matrices
journal, December 2007

  • Liberty, E.; Woolfe, F.; Martinsson, P. -G.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 51
  • DOI: 10.1073/pnas.0709640104

Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction
journal, May 2014

  • Parrish, Robert M.; Sherrill, C. David; Hohenstein, Edward G.
  • The Journal of Chemical Physics, Vol. 140, Issue 18
  • DOI: 10.1063/1.4876016

RI-MP2: optimized auxiliary basis sets and demonstration of efficiency
journal, September 1998

The continuous fast multipole method
journal, November 1994

  • White, Christopher A.; Johnson, Benny G.; Gill, Peter M. W.
  • Chemical Physics Letters, Vol. 230, Issue 1-2
  • DOI: 10.1016/0009-2614(94)01128-1

On first-row diatomic molecules and local density models
journal, January 1979

  • Dunlap, B. I.; Connolly, J. W. D.; Sabin, J. R.
  • The Journal of Chemical Physics, Vol. 71, Issue 12
  • DOI: 10.1063/1.438313

Linear scaling density fitting
journal, November 2006

  • Sodt, Alex; Subotnik, Joseph E.; Head-Gordon, Martin
  • The Journal of Chemical Physics, Vol. 125, Issue 19
  • DOI: 10.1063/1.2370949

Achieving Linear Scaling for the Electronic Quantum Coulomb Problem
journal, January 1996

Pseudospectral full configuration interaction
journal, August 1992

  • Martinez, Todd J.; Mehta, Aseem; Carter, Emily A.
  • The Journal of Chemical Physics, Vol. 97, Issue 3
  • DOI: 10.1063/1.463176

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

  • Hohenstein, Edward G.; Kokkila, Sara I. L.; Parrish, Robert M.
  • The Journal of Chemical Physics, Vol. 138, Issue 12
  • DOI: 10.1063/1.4795514

A fast randomized algorithm for the approximation of matrices
journal, November 2008

  • Woolfe, Franco; Liberty, Edo; Rokhlin, Vladimir
  • Applied and Computational Harmonic Analysis, Vol. 25, Issue 3
  • DOI: 10.1016/j.acha.2007.12.002

KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations
journal, March 2009

  • Yang, Chao; Meza, Juan C.; Lee, Byounghak
  • ACM Transactions on Mathematical Software, Vol. 36, Issue 2
  • DOI: 10.1145/1499096.1499099

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

  • Foerster, D.; Koval, P.; Sánchez-Portal, D.
  • The Journal of Chemical Physics, Vol. 135, Issue 7
  • DOI: 10.1063/1.3624731
    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: