Publications associées à Théorie du champ moyen dynamique

Magnetism and superconductivity of strongly correlated electrons on the triangular lattice

Frédéric Mila, Cédric Weber, Thierry Giamarchi

We investigate the phase diagram of the t−J model on a triangular lattice using a variational Monte Carlo approach. We use an extended set of Gutzwiller projected fermionic trial wave functions allowing for simultaneous magnetic and superconducting order p ...

2006

Efficient blue light-emitting diodes based on a classical "push-pull" architecture molecule 4,4 prime -di-(2-(2,5- dimethoxyphenyl)ethenyl)-2,2 prime -bipyridine

Michael Graetzel, Mohammad Khaja Nazeeruddin, Rosario Scopelliti, Libero Zuppiroli, Filippo de Angelis, Philippe Bugnon, Detlef Berner

A novel, highly blue luminescent molecule containing donor and acceptor groups, 4,4 prime -di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2 prime -bipyridine, that shows photoluminescence emission at 450 nm with 43% quantum yield is designed and synthesized. Time d ...

Royal Society of Chemistry2006

Localized electronic excitations in NiO studied with resonant inelastic X-ray scattering at the Ni M threshold: Evidence of spin flip

Marco Grioni, Xiao Wang

We studied the neutral electronic excitations of NiO localized at the Ni sites by measuring the resonant inelastic x-ray scattering (RIXS) spectra at the Ni M-2,M-3 edges. The good energy resolution allows an unambiguous identification of several spectral ...

American Physical Society2005

Variational optimization of effective atom centered potentials for molecular properties

Ursula Röthlisberger, Ivano Tavernelli, Anatole von Lilienfeld

In plane wave based electronic structure calcns. the interaction of core and valence electrons is usually represented by at. effective core potentials. They are constructed in such a way that the shape of the at. valence orbitals outside a certain core rad ...

2005

Spectral methods based on prolate spheroidal wave functions for hyperbolic PDEs

Jan Sickmann Hesthaven

We examine the merits of using prolate spheroidal wave functions (PSWFs) as basis functions when solving hyperbolic PDEs using pseudospectral methods. The relevant approximation theory is reviewed and some new approximation results in Sobolev spaces are es ...

Society for Industrial and Applied Mathematics2005

First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives

Nicola Marzari, Nicolas Frank Mounet

The structural, dynamical, and thermodynamic properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory total-energy calculations and density-functional perturbati ...

2005

Strong electron-electron and electron-phonon interactions in one- and two-dimensional solids

Marco Grioni, Helmuth Berger, Luca Perfetti

We discuss the spectral signatures of strong electronic correlations and electron-phonon interactions in two representative low-dimensional systems. In the 2D compound 1T-TaSe2 a charge-density-wave (CDW) induces a narrowing of the conduction band, which t ...

Elsevier2004

Dynamics of optical injection of charge and spin currents in quantum wells

Benoît Marie Joseph Deveaud, Marc-André Dupertuis, Daniel Marti

We develop a dynamical theory for the optical injection of charge and spin current originating from the interferences between two coherent laser pulses of frequencies omega and 2omega. Multiband Bloch equations which include one- and two-photon interband t ...

American Physical Society2004

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Théorie du champ moyen dynamique

Magnetism and superconductivity of strongly correlated electrons on the triangular lattice

Identification of an RVB liquid phase in a quantum dimer model with competing kinetic terms

Efficient blue light-emitting diodes based on a classical "push-pull" architecture molecule 4,4 prime -di-(2-(2,5- dimethoxyphenyl)ethenyl)-2,2 prime -bipyridine

Electronic-enthalpy functional for finite systems under pressure

Localized electronic excitations in NiO studied with resonant inelastic X-ray scattering at the Ni M threshold: Evidence of spin flip

Variational optimization of effective atom centered potentials for molecular properties

Spectral methods based on prolate spheroidal wave functions for hyperbolic PDEs

First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives

Strong electron-electron and electron-phonon interactions in one- and two-dimensional solids

Dynamics of optical injection of charge and spin currents in quantum wells

Graph Chatbot

Chattez avec Graph Search

Efficient blue light-emitting diodes based on a classical "push-pull" architecture molecule 4,4 prime -di-(2-(2,5- dimethoxyphenyl)ethenyl)-2,2 prime -bipyridine

Identification of an RVB liquid phase in a quantum dimer model with competing kinetic terms

Localized electronic excitations in NiO studied with resonant inelastic X-ray scattering at the Ni M threshold: Evidence of spin flip

Variational optimization of effective atom centered potentials for molecular properties

Spectral methods based on prolate spheroidal wave functions for hyperbolic PDEs

Strong electron-electron and electron-phonon interactions in one- and two-dimensional solids

Dynamics of optical injection of charge and spin currents in quantum wells

Magnetism and superconductivity of strongly correlated electrons on the triangular lattice

Electronic-enthalpy functional for finite systems under pressure

First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives