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

Lu, Jianfeng; Ying, Lexing

doi:10.1016/j.jcp.2015.09.014

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

Authors:: Lu, Jianfeng; Ying, Lexing

Publication Date:: Tue Dec 01 00:00:00 EST 2015

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:: Journal Article: 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.

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                    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

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                    Lu, Jianfeng, and Ying, Lexing. 2015.  
        "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.

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@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},

  url          = {https://www.osti.gov/biblio/1247053},
  journal      = {Journal of Computational Physics},

  issn         = {0021-9991},

  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}

}

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Publisher's Version of Record at https://doi.org/10.1016/j.jcp.2015.09.014

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Similar Records

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

Citation Formats

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 ( r 6 ) to O ( r 4 ) 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

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 ( r ⁶ ) to O ( r ⁴ )
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