Publications associées à Théorie du champ moyen dynamique

Oleg Yazyev, Quansheng Wu, Cheng Shen, Na Li, Jian Tang, Rong Yang

Electron-electron interactions play an important role in graphene and related systems and can induce exotic quantum states, especially in a stacked bilayer with a small twist angle(1-7). For bilayer graphene where the two layers are twisted by the 'magic a ...

NATURE PUBLISHING GROUP2020

Exact diagonalization study of the Hubbard-parametrized four-spin ring exchange model on a square lattice

Henrik Moodysson Rønnow, Noore Elahi Shaik, Sofie Janas

We have used exact numerical diagonalization to study the excitation spectrum and the dynamic spin correlations in the s = 1/2 next-next-nearest-neighbor Heisenberg antiferromagnet on the square lattice, with additional four-spin ring exchange from higher- ...

AMER PHYSICAL SOC2019

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

Nicola Marzari, Matteo Cococcioni

Transition-metal compounds pose serious challenges to first-principles calculations based on density functional theory (DFT), due to the inability of most approximate exchange-correlation functionals to capture the localization of valence electrons on thei ...

AMER PHYSICAL SOC2019

Ising Model: Local Spin Correlations and Conformal Invariance

Clément Hongler, Sung Chul Park

We study the 2-dimensional Ising model at critical temperature on a simply connected subset of the square grid Z2. The scaling limit of the critical Ising model is conjectured to be described by Conformal Field Theory; in particular, there is expected to b ...

Springer2019

Orbitally selective breakdown of Fermi liquid quasiparticles in Ca1.8Sr0.2RuO4

Marco Grioni, Johan Juul Chang, Gianmarco Gatti

We present a comprehensive angle-resolved photoemission spectroscopy study of Ca1.8Sr0.2RuO4. Four distinct bands are revealed and along the Ru-O bond direction their orbital characters are identified through a light polarization analysis and comparison to ...

AMER PHYSICAL SOC2019

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

Nicola Marzari, Iurii Timrov, Ulrich Aschauer, Matteo Cococcioni

We propose a self-consistent site-dependent Hubbard U approach for density functional theory (DFT)+U calculations of defects in complex transition metal oxides, using Hubbard parameters computed via linear response theory. The formation of a defect locally ...

AMER PHYSICAL SOC2019

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Jógvan Magnus Olsen, Pablo Jonas Baudin

The cluster perturbation series, CPS(D), for coupled cluster singles and doubles excitation energies is considered. It is demonstrated that the second-order model CPS(D-2) is identical to the configuration interaction singles with perturbative doubles, CIS ...

AMER INST PHYSICS2019

Assessment of Approximate Methods for Anharmonic Free Energies

Michele Ceriotti, Venkat Kapil, Edgar Albert Engel, Mariana Rossi Carvalho

Quantitative evaluation of the thermodynamic properties of materials—most notably their stability, as measured by the free energy—must take into account the role of thermal and zero-point energy fluctuations. While these effects can easily be estimated wit ...

2019

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Théorie du champ moyen dynamique

Correlated states in twisted double bilayer graphene

Exact diagonalization study of the Hubbard-parametrized four-spin ring exchange model on a square lattice

Exploring the Kondo Effect of an Extended Impurity with Chains of Co Adatoms in a Magnetic Field

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

Ising Model: Local Spin Correlations and Conformal Invariance

Orbitally selective breakdown of Fermi liquid quasiparticles in Ca1.8Sr0.2RuO4

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Assessment of Approximate Methods for Anharmonic Free Energies

Spin dynamics from time-dependent density functional perturbation theory

Graph Chatbot

Chattez avec Graph Search

Exact diagonalization study of the Hubbard-parametrized four-spin ring exchange model on a square lattice

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

Spin dynamics from time-dependent density functional perturbation theory

Exploring the Kondo Effect of an Extended Impurity with Chains of Co Adatoms in a Magnetic Field

Ising Model: Local Spin Correlations and Conformal Invariance

Orbitally selective breakdown of Fermi liquid quasiparticles in Ca1.8Sr0.2RuO4

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Assessment of Approximate Methods for Anharmonic Free Energies

Correlated states in twisted double bilayer graphene