Swift G W beyond 10,000 electrons using sparse stochastic compression

Vlček, Vojtěch; Li, Wenfei; Baer, Roi; Rabani, Eran; Neuhauser, Daniel

doi:10.1103/PhysRevB.98.075107

Title: Swift $G W$ beyond 10,000 electrons using sparse stochastic compression

Authors:: Vlček, Vojtěch; Li, Wenfei; Baer, Roi; Rabani, Eran; Neuhauser, Daniel

Publication Date:: Mon Aug 06 00:00:00 EDT 2018

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1463049

Grant/Contract Number:: DEAC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 7; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Vlček, Vojtěch, Li, Wenfei, Baer, Roi, Rabani, Eran, and Neuhauser, Daniel. Swift G W beyond 10,000 electrons using sparse stochastic compression.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevB.98.075107.

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                    Vlček, Vojtěch, Li, Wenfei, Baer, Roi, Rabani, Eran, & Neuhauser, Daniel. Swift G W beyond 10,000 electrons using sparse stochastic compression.  United States.  https://doi.org/10.1103/PhysRevB.98.075107

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                    Vlček, Vojtěch, Li, Wenfei, Baer, Roi, Rabani, Eran, and Neuhauser, Daniel. Mon .  
"Swift G W beyond 10,000 electrons using sparse stochastic compression".  United States.  https://doi.org/10.1103/PhysRevB.98.075107.

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@article{osti_1463049,

  title        = {Swift G W beyond 10,000 electrons using sparse stochastic compression},

  author       = {Vlček, Vojtěch and Li, Wenfei and Baer, Roi and Rabani, Eran and Neuhauser, Daniel},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.98.075107},

  journal      = {Physical Review B},

  number       = 7,

  volume       = 98,

  place        = {United States},

  year         = {Mon Aug 06 00:00:00 EDT 2018},

  month        = {Mon Aug 06 00:00:00 EDT 2018}

}

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Works referenced in this record:

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Title: Swift G W beyond 10,000 electrons using sparse stochastic compression

Citation Formats

On correlation effects in electron spectroscopies and the GW approximation journal, October 1999

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space journal, May 2008

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections journal, August 2016

Toward GW Calculations on Thousands of Atoms journal, January 2018

GW Γ approximation for electron self-energies in semiconductors and insulators journal, March 1994

Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory journal, December 2015

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures journal, June 2012

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal, August 1965

The GW method journal, March 1998

Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems journal, May 2016

Stochastic GW Calculations for Molecules journal, September 2017

Stochastic Self-Consistent Second-Order Green’s Function Method for Correlation Energies of Large Electronic Systems journal, October 2017

Inhomogeneous Electron Gas journal, November 1964

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal, October 1986

Direct calculation of electron density in density-functional theory journal, March 1991

Time-dependent stochastic Bethe-Salpeter approach journal, June 2015

The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties journal, May 1993

Communication: Embedded fragment stochastic density functional theory journal, July 2014

Ionization Potentials of Solids: The Importance of Vertex Corrections journal, March 2014

XSEDE: Accelerating Scientific Discovery journal, September 2014

Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase journal, March 2012

Electronic Structure book, January 2004

Interacting Electrons: Theory and Computational Approaches book, June 2016

Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic G W Approach journal, August 2014

A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters journal, February 1999

Structure of pyrrhotite 5 C (Fe 9 S 10 ) journal, May 2010

Sublinear scaling for time-dependent stochastic density functional theory journal, January 2015

Isotope effect on anharmonic thermal atomic vibration and κ refinement of 12 C and 3 C diamond journal, April 1996

GW quasiparticle spectra from occupied states only journal, March 2010

Large Scale GW Calculations journal, May 2015

Optimal representation of the polarization propagator for large-scale G W calculations journal, May 2009

Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory journal, September 2017

The history and evolution of configuration interaction journal, May 1998

Efficient pseudopotentials for plane-wave calculations journal, January 1991

Title: Swift $G W$ beyond 10,000 electrons using sparse stochastic compression

On correlation effects in electron spectroscopies and the GW approximation
journal, October 1999

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
journal, May 2008

Excitation spectra of aromatic molecules within a real-space $G W$ -BSE formalism: Role of self-consistency and vertex corrections
journal, August 2016

Toward GW Calculations on Thousands of Atoms
journal, January 2018

GW Γ approximation for electron self-energies in semiconductors and insulators
journal, March 1994

Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory
journal, December 2015

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
journal, August 1965

The GW method
journal, March 1998

Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems
journal, May 2016

Stochastic GW Calculations for Molecules
journal, September 2017

Stochastic Self-Consistent Second-Order Green’s Function Method for Correlation Energies of Large Electronic Systems
journal, October 2017

Inhomogeneous Electron Gas
journal, November 1964

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986

Direct calculation of electron density in density-functional theory
journal, March 1991

Time-dependent stochastic Bethe-Salpeter approach
journal, June 2015

The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
journal, May 1993

Communication: Embedded fragment stochastic density functional theory
journal, July 2014

Ionization Potentials of Solids: The Importance of Vertex Corrections
journal, March 2014

XSEDE: Accelerating Scientific Discovery
journal, September 2014

Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
journal, March 2012

Electronic Structure
book, January 2004

Interacting Electrons: Theory and Computational Approaches
book, June 2016

Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic $G W$ Approach
journal, August 2014

A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters
journal, February 1999

Structure of pyrrhotite 5 C (Fe ₉ S ₁₀ )
journal, May 2010

Sublinear scaling for time-dependent stochastic density functional theory
journal, January 2015

Isotope effect on anharmonic thermal atomic vibration and κ refinement of ¹² C and ³ C diamond
journal, April 1996

GW quasiparticle spectra from occupied states only
journal, March 2010

Large Scale GW Calculations
journal, May 2015

Optimal representation of the polarization propagator for large-scale $G W$ calculations
journal, May 2009

Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory
journal, September 2017

The history and evolution of configuration interaction
journal, May 1998

Efficient pseudopotentials for plane-wave calculations
journal, January 1991