Publications associées à Droite de Sorgenfrey

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 ...

Amer Chemical Soc2023

Typicality results for weak solutions of the incompressible Navier-Stokes equations

Maria Colombo, Luigi De Rosa, Massimo Sorella

In this work we show that, in the class of L-infinity((0,T); L-2(T-3)) distributional solutions of the incompressible Navier-Stokes system, the ones which are smooth in some open interval of times are meagre in the sense of Baire category, and the Leray on ...

EDP SCIENCES S A2022

Interaction of lightning-generated electromagnetic fields with overhead and underground cables

Farhad Rachidi-Haeri, Marcos Rubinstein, Carlo Alberto Nucci

In this chapter, we discussed the TL theory and its application to the problem of lightning electromagnetic field coupling to transmission lines. After a short discussion on the underlying assumptions of the TL theory, we described seemingly different but ...

IET2022

Decay for the nonlinear KdV equations at critical lengths

Hoài-Minh Nguyên

We consider the nonlinear Korteweg-de Vries (KdV) equation in a bounded interval equipped with the Dirichlet boundary condition and the Neumann boundary condition on the right. It is known that there is a set of critical lengths for which the solutions of ...

2021

Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The calculation of electron correlation is vital for the description of atomistic phenomena in physics, chemistry, and biology. However, accurate wavefunction-based methods exhibit steep scaling and often sluggish convergence with respect to the basis set ...

AMER CHEMICAL SOC2020

Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians

Ursula Röthlisberger, Martin Peter Bircher, Pablo Lopez Tarifa

The Minnesota family of exchange-correlation (xc) functionals are among the most popular, accurate, and abundantly used functionals available to date. However, their use in plane-wave based first-principles MD has been limited by their sparse availability. ...

2019

Structural connectomics in brain diseases

Jean-Philippe Thiran, Patric Hagmann, Alessandra Griffa, Philipp Baumann

Imaging the connectome in vivo has become feasible through the integration of several rapidly developing fields of science and engineering, namely magnetic resonance imaging and in particular diffusion MRI on one side, image processing and network theory o ...

Elsevier2013

Modular DC/DC Converter: Comparison of Modulation Methods

Drazen Dujic, Alfred Rufer, Stephan Kenzelmann

This paper presents a bidirectional modular DC/DC converter. It consists of two Modular Multilevel Converters (MMC) linked by a transformer to achieve galvanic isolation. This topology serves as “DC transformer” interfacing low and medium voltage DC grids. ...

2012

A Review of Field-to-Transmission Line Coupling Models With Special Emphasis to Lightning-Induced Voltages on Overhead Lines

Farhad Rachidi-Haeri

We discuss the transmission line (TL) theory and its application to the problem of lightning electromagnetic field coupling to TLs. We start with the derivation of the general field-to-TL coupling equations for the case of a single-wire line above a perfec ...

Ieee-Inst Electrical Electronics Engineers Inc2012

"Gold standard" coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach

Brijesh Kumar Mishra

Due to high scaling order of MP2 and CCSD(T) methods, it is either difficult or at times even impossible to treat even moderately sized molecular systems with elaborate basis sets such as aug-cc-pVXZ (X = D, T, Q). In the present work, several structures o ...

2011