Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Interacting particle systems play a key role in science and engineering. Access to the governing particle interaction law is fundamental for a complete understanding of such systems. However, the inherent system complexity keeps the particle interaction hi ...

We present a comprehensive study shedding light on how thermal fluctuations affect correlations in a Bose gas with contact repulsive interactions in one spatial dimension. The pair correlation function, the static structure factor, and the one-body density ...

Optical tweezers are devices that can manipulate nano- and microparticles using a laser. The principle of optical tweezers is to apply a force to an object using the momentum of light. This force is very small, but it is sufficient to move things in the mi ...

A search is presented for the Higgs boson decay to a pair of electrons (e(+)e(-)) in proton-proton collisions at root s= 13 TeV. The data set was collected with the CMS experiment at the LHC between 2016 and 2018, corresponding to an integrated luminosity ...

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

We report on coherent propagation of antiferromagnetic (AFM) spin waves over a long distance (similar to 10 mu m) at room temperature in a canted AFM alpha-Fe2O3 owing to the Dzyaloshinskii-Moriya interaction (DMI). Unprecedented high group velocities (up ...

The ultrafast dynamics of charge carriers in solids plays a pivotal role in emerging optoelectronics, photonics, energy harvesting, and quantum technology applications. However, the investigation and direct visualization of such nonequilibrium phenomena re ...

We introduce two new approximation methods for the numerical evaluation of the long-range component of the range-separated Coulomb potential and the approximation of the resulting high dimensional Two-Electron Integrals tensor (TEI) with long-range interac ...

The most promising solution towards cementitious materials with a lower carbon footprint is the partial substitution of the clinker by supplementary cementitious materials (SCMs) such as fly ash, blast furnace slag, limestone and calcined clays. The produc ...

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules

Chat with Graph Search

Learning Physics-Consistent Particle Interactions

Correlation properties of a one-dimensional repulsive Bose gas at finite temperature

Optical manipulation of plasmonic nanoparticles: Applications in surface chemistry and nano-optics

Search for the Higgs boson decay to a pair of electrons in proton-proton collisions at √s=13 TeV

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Long-Distance Coherent Propagation of High-Velocity Antiferromagnetic Spin Waves

Ultrafast Electron Microscopy of Nanoscale Charge Dynamics in Semiconductors

Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

The role of Zn in C-S-H atomic structure, nucleation and growth

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP