Related publications (58)

Spin Evolution in the Born-Oppenheimer Approximation

Jean-Philippe Ansermet, François Reuse, Klaus Maschke

The first part of this article attempts to highlight in chronological order some prominent papers that have direct connexion with the Born-Oppenheimer approximation. This timeline successively points to the role of level crossing, the notions of gauge fiel ...
WILEY-V C H VERLAG GMBH2022

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Michele Ceriotti, François Gygi, Han Yang

We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoidi ...
AMER PHYSICAL SOC2021

Theory and simulations of homonuclear three-spin systems in rotating solids

David Lyndon Emsley, Gabriele Stevanato, Pinelopi Moutzouri, Bruno Simões de Almeida

The homonuclear dipolar coupling is the internal spin interaction that contributes the most to the line shapes in magic-angle-spinning (MAS) H-1 NMR spectra of solids, and linewidths typically extend over several hundred Hertz, limiting the H-1 resolution. ...
AIP Publishing2021

A Space-Time Adaptive Algorithm to Illustrate the Lack of Collision of a Rigid Disk Falling in an Incompressible Fluid

Marco Picasso, Samuel Dubuis

A space-time adaptive algorithm to solve the motion of a rigid disk in an incompressible Newtonian fluid is presented, which allows collision or quasi-collision processes to be computed with high accuracy. In particular, we recover the theoretical result p ...
WALTER DE GRUYTER GMBH2021

Quantum yield and brightness

Jean-Claude Bünzli

Brightness has different meaning in different contexts and some of these are reviewed. The scientific definition of brightness does not represent our perception. The current definition is that from the IUPAC Gold Book and is mainly restricted to solutions. ...
2020

Homonuclear Decoupling in H-1 NMR of Solids by Remote Correlation

David Lyndon Emsley, Gabriele Stevanato, Pinelopi Moutzouri, Federico Maria Paruzzo, Bruno Simões de Almeida

The typical linewidths of H-1 NMR spectra of powdered organic solids at 111 kHz magic-angle spinning (MAS) are of the order of a few hundred Hz. While this is remarkable in comparison to the tens of kHz observed in spectra of static samples, it is still th ...
2020

A note on discrete lattice-periodic sets with an application to Archimedean tilings

Matthias Schymura

Cao and Yuan obtained a Blichfeldt-type result for the vertex set of the edge-to-edge tiling of the plane by regular hexagons. Observing that the vertex set of every Archimedean tiling is the union of translates of a fixed lattice, we take a more general v ...
SPRINGER HEIDELBERG2019

Semiconductor Nanowires: To Grow or Not to Grow?

Anna Fontcuberta i Morral

Semiconductor nanowires have demonstrated exciting properties for nanophotonics, sensors, energy technologies and end-of-roadmap and beyond-roadmap electronic devices. Fabrication schemes for nanowires are varied, but they fall into three general categorie ...
2019

Temperature Dependence of the Vacancy Formation Energy in Solid He-4

Riccardo Rota

We studied the thermal effects on the behavior of incommensurate solid He-4 at low temperatures using the path integral Monte Carlo method. Below a certain temperature, depending on the density and the structure of the crystal, the vacancies delocalize and ...
2018

Full Phase Diagram of Active Brownian Disks: From Melting to Motility-Induced Phase Separation

Ignacio Pagonabarraga Mora, Pasquale Digregorio

We establish the complete phase diagram of self-propelled hard disks in two spatial dimensions from the analysis of the equation of state and the statistics of local order parameters. The equilibrium melting scenario is maintained at small activities, with ...
2018

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