Concept

Théorie des perturbations

Publications associées (32)

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

Second-order Moller-Plesset perturbation theory (MP2) is the most expedient wave function-based method for considering electron correlation in quantum chemical calculations and, as such, provides a cost-effective framework to assess the effects of basis se ...

Washington2023

Predicting nonlinear optical scattering with physics-driven neural networks

Demetri Psaltis, Carlo Gigli, Ahmed Ayoub

Deep neural networks trained on physical losses are emerging as promising surrogates for nonlinear numerical solvers. These tools can predict solutions to Maxwell's equations and compute gradients of output fields with respect to the material and geometric ...

AIP Publishing2023

Two-dimensional Hubbard model at finite temperature: Weak, strong, and long correlation regimes

Riccardo Rossi

We investigate the momentum-resolved spin and charge susceptibilities, as well as the chemical potential and double occupancy in the two-dimensional Hubbard model as functions of doping, temperature, and interaction strength. Through these quantities, we i ...

AMER PHYSICAL SOC2022

Quasi-symmetry-protected topology in a semi-metal

Philip Johannes Walter Moll, Matthias Carsten Putzke, Yi-Chiang Sun, Chunyu Guo, Xiangwei Huang, Jonas De Jesus Diaz Gomez

The concept of quasi-symmetry-a perturbatively small deviation from exact symmetry-is introduced and leads to topological materials with strong resilience to perturbations. The crystal symmetry of a material dictates the type of topological band structure ...

NATURE PORTFOLIO2022

A Methodology for Evaluating the Robustness of Anomaly Detectors to Adversarial Attacks in Industrial Scenarios

Javier Alejandro Maroto Morales

Anomaly Detection systems based on Machine and Deep learning are the most promising solutions to detect cyberattacks in the industry. However, these techniques are vulnerable to adversarial attacks that downgrade prediction performance. Several techniques ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Thermal critical points from competing singlet formations in fully frustrated bilayer antiferromagnets

Frédéric Mila, Antoine Yves Dimitri Fache

We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free ...

AMER PHYSICAL SOC2022

The very knotty lenser: Exploring the role of regularization in source and potential reconstructions using Gaussian process regression

Georgios Vernardos

Reconstructing lens potentials and lensed sources can easily become an underconstrained problem, even when the degrees of freedom are low, due to degeneracies, particularly when potential perturbations superimposed on a smooth lens are included. Regulariza ...

OXFORD UNIV PRESS2022

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

Level crossings and chiral transitions in transverse-field Ising models of adatom and Rydberg chains

Ivo Aguiar Maceira

This thesis is motivated by recent experiments on systems described by extensions of the one-dimensional transverse-field Ising (TFI) model where (1) finite-size properties of Ising-ordered phases -- specifically, ground state level crossings -- were obser ...

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

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