Calculating dynamical mean-field theory forces in 
ab initio
 ultrasoft pseudopotential formalism

Evgeny Plekhanov; Nicola Bonini; Cedric Weber

doi:10.1103/physrevb.104.235131

Calculating dynamical mean-field theory forces in ab initio ultrasoft pseudopotential formalism

Physical Review B ◽

10.1103/physrevb.104.235131 ◽

2021 ◽

Vol 104 (23) ◽

Author(s):

Evgeny Plekhanov ◽

Nicola Bonini ◽

Cedric Weber

Keyword(s):

Field Theory ◽

Ab Initio ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory

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Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00934 ◽

2019 ◽

Vol 16 (1) ◽

pp. 141-153 ◽

Cited By ~ 11

Author(s):

Tianyu Zhu ◽

Zhi-Hao Cui ◽

Garnet Kin-Lic Chan

Keyword(s):

Field Theory ◽

Ab Initio ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Periodic Systems

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Many-body coherent potential approximation, dynamical coherent potential approximation, and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.66.104428 ◽

2002 ◽

Vol 66 (10) ◽

Cited By ~ 31

Author(s):

Y. Kakehashi

Keyword(s):

Field Theory ◽

Mean Field Theory ◽

Mean Field ◽

Coherent Potential Approximation ◽

Dynamical Mean Field Theory ◽

Many Body ◽

Potential Approximation

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Nonlocal Coulomb correlations in pure and electron-doped Sr2IrO4 : Spectral functions, Fermi surface, and pseudo-gap-like spectral weight distributions from oriented cluster dynamical mean-field theory

Physical Review Materials ◽

10.1103/physrevmaterials.2.032001 ◽

2018 ◽

Vol 2 (3) ◽

Cited By ~ 8

Author(s):

Cyril Martins ◽

Benjamin Lenz ◽

Luca Perfetti ◽

Veronique Brouet ◽

François Bertran ◽

...

Keyword(s):

Field Theory ◽

Fermi Surface ◽

Mean Field Theory ◽

Mean Field ◽

Spectral Weight ◽

Dynamical Mean Field Theory ◽

Spectral Functions ◽

Weight Distributions ◽

Coulomb Correlations

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Magnetic phases of the two orbital Hubbard model in dynamical mean field theory

Journal of Physics Conference Series ◽

10.1088/1742-6596/200/1/012158 ◽

2010 ◽

Vol 200 (1) ◽

pp. 012158 ◽

Cited By ~ 2

Author(s):

R Peters ◽

T Pruschke

Keyword(s):

Field Theory ◽

Hubbard Model ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Magnetic Phases

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Loop currents in ladder cuprates: A dynamical mean field theory study

Physical Review B ◽

10.1103/physrevb.102.085135 ◽

2020 ◽

Vol 102 (8) ◽

Author(s):

Xiancong Lu ◽

D. Sénéchal

Keyword(s):

Field Theory ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Loop Currents

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Origin of large thermopower inLiRh2O4: Calculation of the Seebeck coefficient by the combination of local density approximation and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.78.115121 ◽

2008 ◽

Vol 78 (11) ◽

Cited By ~ 43

Author(s):

R. Arita ◽

K. Kuroki ◽

K. Held ◽

A. V. Lukoyanov ◽

S. Skornyakov ◽

...

Keyword(s):

Field Theory ◽

Seebeck Coefficient ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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A dynamical mean field theory for the study of surface diffusion constants

Surface Science ◽

10.1016/s0039-6028(97)00005-8 ◽

1997 ◽

Vol 380 (2-3) ◽

pp. L501-L505 ◽

Cited By ~ 23

Author(s):

T. Hjelt ◽

I. Vattulainen ◽

J. Merikoski ◽

T. Ala-Nissila ◽

S.C. Ying

Keyword(s):

Field Theory ◽

Surface Diffusion ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Diffusion Constants

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Spin and orbital exchange interactions from Dynamical Mean Field Theory

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2015.07.048 ◽

2016 ◽

Vol 400 ◽

pp. 112-116 ◽

Cited By ~ 4

Author(s):

A. Secchi ◽

A.I. Lichtenstein ◽

M.I. Katsnelson

Keyword(s):

Field Theory ◽

Mean Field Theory ◽

Mean Field ◽

Exchange Interactions ◽

Dynamical Mean Field Theory

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BCS-BEC crossover atT=0: A dynamical mean-field theory approach

Physical Review B ◽

10.1103/physrevb.72.024517 ◽

2005 ◽

Vol 72 (2) ◽

Cited By ~ 58

Author(s):

Arti Garg ◽

H. R. Krishnamurthy ◽

Mohit Randeria

Keyword(s):

Field Theory ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Theory Approach

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Composition and temperature dependent electronic structures ofNiS2−xSexalloys: First-principles dynamical mean-field theory approach

Physical Review B ◽

10.1103/physrevb.92.235130 ◽

2015 ◽

Vol 92 (23) ◽

Cited By ~ 7

Author(s):

Chang-Youn Moon ◽

Hanhim Kang ◽

Bo Gyu Jang ◽

Ji Hoon Shim

Keyword(s):

Field Theory ◽

First Principles ◽

Electronic Structures ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Theory Approach ◽

Temperature Dependent

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