Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

Zhao, Xin; Liu, Jun; Yao, Yong-Xin; Wang, Cai-Zhuang; Ho, Kai-Ming

doi:10.1103/PhysRevB.97.075142

Title: Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

Authors:

Zhao, Xin ^[1]; Liu, Jun ^[2]; Yao, Yong-Xin ^[1]; Wang, Cai-Zhuang ^[1]; Ho, Kai-Ming ^[1]

Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Univ. of Virginia, Charlottesville, VA (United States). Dept. of Physics

Publication Date:: 2018-01-23

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Energy Research Scientific Computing Center (NERSC); USDOE

OSTI Identifier:: 1422467

Alternate Identifier(s):: OSTI ID: 1422456; OSTI ID: 1427729

Report Number(s):: IS-J-9602
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1801604

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 97; Journal Issue: 7; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Zhao, Xin, Liu, Jun, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevB.97.075142.

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                    Zhao, Xin, Liu, Jun, Yao, Yong-Xin, Wang, Cai-Zhuang, & Ho, Kai-Ming. Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen.  United States.  https://doi.org/10.1103/PhysRevB.97.075142

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                    Zhao, Xin, Liu, Jun, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Tue .  
"Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen".  United States.  https://doi.org/10.1103/PhysRevB.97.075142.  https://www.osti.gov/servlets/purl/1422467.

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@article{osti_1422467,

  title        = {Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen},

  author       = {Zhao, Xin and Liu, Jun and Yao, Yong-Xin and Wang, Cai-Zhuang and Ho, Kai-Ming},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.97.075142},

  journal      = {Physical Review B},

  number       = 7,

  volume       = 97,

  place        = {United States},

  year         = {2018},

  month        = {1}

}

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https://doi.org/10.1103/PhysRevB.97.075142

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Cited by: 6 works

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FIG. 1 : Equation of state of the one dimensional hydrogen chain calculated from different methods as indicated.

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Works referencing / citing this record:

Benchmark of correlation matrix renormalization method in molecule calculations
journal, March 2019

Zhang, Han; Lu, Wen-Cai; Yao, Yong-Xin
Journal of Physics: Condensed Matter, Vol. 31, Issue 19
DOI: 10.1088/1361-648x/ab05b3

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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.

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Title: Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

Citation Formats

Figures / Tables:

Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures journal, July 2015

Metallic Hydrogen: A High-Temperature Superconductor? journal, December 1968

Physicists doubt bold report of metallic hydrogen journal, February 2017

New Functional Integral Approach to Strongly Correlated Fermi Systems: The Gutzwiller Approximation as a Saddle Point journal, September 1986

Structure of phase III of solid hydrogen journal, May 2007

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Evidence for a new phase of dense hydrogen above 325 gigapascals journal, January 2016

Multi-band Gutzwiller wave functions for general on-site interactions text, January 1997

Quantum Mechanics of Many-Electron Systems journal, April 1929

Mott physics beyond the Brinkman-Rice scenario journal, April 2017

Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods text, January 2017

LDA + Gutzwiller method for correlated electron systems journal, July 2008

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Ground-State Structures of Atomic Metallic Hydrogen journal, April 2011

Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods journal, September 2017

Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study journal, December 2011

Band theory and Mott insulators: Hubbard U instead of Stoner I journal, July 1991

Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations journal, November 2007

Emergent Bloch excitations in Mott matter journal, November 2017

High-resolution X-ray luminescence extension imaging journal, February 2021

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal, January 1996

Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules journal, September 2016

Multiband Gutzwiller wave functions for general on-site interactions journal, March 1998

Equivalence of Gutzwiller and slave-boson mean-field theories for multiband Hubbard models journal, November 2007

Electronic structure calculations with dynamical mean-field theory journal, August 2006

Observation of the Wigner-Huntington transition to metallic hydrogen journal, January 2017

Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation text, January 2011

Correlated electrons in δ-plutonium within a dynamical mean-field picture journal, April 2001

Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study text, January 2011

Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory journal, August 2015

Gutzwiller density functional theory for correlated electron systems text, January 2007

Structure and bandgap closure in dense hydrogen journal, February 2000

Conductive dense hydrogen journal, November 2011

Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals journal, February 2004

H 2 and ( H 2 ) 2 molecules with an ab initio optimization of wave functions in correlated state: electron–proton couplings and intermolecular microscopic parameters journal, December 2014

Benchmark of correlation matrix renormalization method in molecule calculations journal, March 2019

Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
journal, July 2015

Metallic Hydrogen: A High-Temperature Superconductor?
journal, December 1968

Physicists doubt bold report of metallic hydrogen
journal, February 2017

New Functional Integral Approach to Strongly Correlated Fermi Systems: The Gutzwiller Approximation as a Saddle Point
journal, September 1986

Structure of phase III of solid hydrogen
journal, May 2007

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Evidence for a new phase of dense hydrogen above 325 gigapascals
journal, January 2016

Multi-band Gutzwiller wave functions for general on-site interactions
text, January 1997

Quantum Mechanics of Many-Electron Systems
journal, April 1929

Mott physics beyond the Brinkman-Rice scenario
journal, April 2017

Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
text, January 2017

LDA + Gutzwiller method for correlated electron systems
journal, July 2008

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Ground-State Structures of Atomic Metallic Hydrogen
journal, April 2011

Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods
journal, September 2017

Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study
journal, December 2011

Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations
journal, November 2007

Emergent Bloch excitations in Mott matter
journal, November 2017

High-resolution X-ray luminescence extension imaging
journal, February 2021

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
journal, January 1996

Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules
journal, September 2016

Multiband Gutzwiller wave functions for general on-site interactions
journal, March 1998

Equivalence of Gutzwiller and slave-boson mean-field theories for multiband Hubbard models
journal, November 2007

Electronic structure calculations with dynamical mean-field theory
journal, August 2006

Observation of the Wigner-Huntington transition to metallic hydrogen
journal, January 2017

Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation
text, January 2011

Correlated electrons in δ-plutonium within a dynamical mean-field picture
journal, April 2001

Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study
text, January 2011

Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory
journal, August 2015

Gutzwiller density functional theory for correlated electron systems
text, January 2007

Structure and bandgap closure in dense hydrogen
journal, February 2000

Conductive dense hydrogen
journal, November 2011

Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals
journal, February 2004

H ₂ and ( H ₂ ) ₂ molecules with an ab initio optimization of wave functions in correlated state: electron–proton couplings and intermolecular microscopic parameters
journal, December 2014

Benchmark of correlation matrix renormalization method in molecule calculations
journal, March 2019