Concept

Lunar theory

Publications associées (31)

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

Alfredo Pasquarello, Aleksei Tal, Thomas Bischoff

We demonstrate the importance of addressing the F vertex and thus going beyond the GW approximation for achieving the energy levels of liquid water in manybody perturbation theory. In particular, we consider an effective vertex function in both the polariz ...

Natl Acad Sciences2024

Spectral properties of extended systems from Koopmans-compliant functionals

Riccardo De Gennaro

Electronic-structure simulations have been impacting the study of materials properties thanks to the simplicity of density-functional theory, a method that gives access to the ground state of the system. Although very important, ground-state properties rep ...

EPFL2022

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti, Andrea Ferretti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

Topological optomechanically induced transparency

Romain Christophe Rémy Fleury, Farzad Zangeneh Nejad

The interaction of optical and mechanical degrees of freedom can lead to several interesting effects. A prominent example is the phenomenon of optomechanically induced transparency (OMIT), in which mechanical movements induce a narrow transparency window i ...

2020

Concordia: A musical XR instrument for playing the solar system

Petter Harald Ericson

Kepler Concordia, a new scientific and musical instrument enabling players to explore the solar system and other data within immersive extended-reality (XR) platforms, is being designed by a diverse team of musicians, artists, scientists and engineers usin ...

ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD2020

Estuarine tidal response to sea level rise: The significance of entrance restriction

Giovanni De Cesare, Steve Hottinger

Estuarine environments, as dynamic low-lying transition zones between rivers and the open sea, are vulnerable to sea level rise (SLR). To evaluate the potential impacts of SLR on estuarine responses, it is necessary to examine the altered tidal dynamics, i ...

2020

Giant Exciton Mott Density in Anatase TiO2

Majed Chergui, Edoardo Baldini, Tania Palmieri

Elucidating the carrier density at which strongly bound excitons dissociate into a plasma of uncorrelated electron-hole pairs is a central topic in the many-body physics of semiconductors. However, there is a lack of information on the high-density respons ...

2020

Local Vulnerabilities and Global Robustness of Coupled Dynamical Systems on Complex Networks

Melvyn Sandy Tyloo

Coupled dynamical systems are omnipresent in everyday life. In general, interactions between individual elements composing the system are captured by complex networks. The latter greatly impact the way coupled systems are functioning and evolving in time. ...

EPFL2020

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory

For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-body perturbation theory (MBPT), owing to its low computational cost. However, the exact KS potential can be challenging to approximate, for example in the pre ...

AMER PHYSICAL SOC2019

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set

Nicola Marzari, Nicola Colonna, Ngoc Linh Nguyen, Andrea Ferretti

Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a function of the fractional addition/removal of an electron to/from any orbital. We a ...

AMER CHEMICAL SOC2019

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