Concept

Représentation de Schrödinger

Publications associées (33)

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

High-order geometric integrators for the variational Gaussian approximation

Jiri Vanicek, Roya Moghaddasi Fereidani

Among the single-trajectory Gaussian-based methods for solving the time-dependent Schrödinger equation, the variational Gaussian approximation is the most accurate one. In contrast to Heller’s original thawed Gaussian approximation, it is symplectic, conse ...

2023

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

Jiri Vanicek, Seonghoon Choi

One of the most accurate methods for solving the time-dependent Schrödinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid points, we let the grid ...

2019

On the finite-size Lyapunov exponent for the Schröedinger operator with skew-shift potential

Marius Christopher Lemm

It is known that a one-dimensional quantum particle is localized when subjected to an arbitrarily weak random potential. It is conjectured that localization also occurs for an arbitrarily weak potential generated from the nonlinear skew-shift dynamics: $v_ ...

2019

Effective multi-scale approach to the Schrödinger cocycle over a skew shift base

Marius Christopher Lemm, Rui Han

We prove a conditional theorem on the positivity of the Lyapunov exponent for a Schrödinger cocycle over a skew shift base with a cosine potential and the golden ratio as frequency. For coupling below 1, which is the threshold for Herman's subharmonicity t ...

2018

Experimental study of viscoplastic avalanches striking a water body using PIV techniques.

Zhenzhu Meng

A recurrent problem in avalanche engineering is related to impulse waves induced by snow avalanches striking a water basin. We took a first step toward the avalanche dynamics when falling into water by using a viscoplastic material that mimics avalanches. ...

2018

Schrödinger's cat : open the EPFL Library box

Simon Pasquier

As the alive or dead cat, do you really know the content of the Library box at instant t? Between collections and services, discover what is actually inside. ...

2017

On sums of eigenvalues of elliptic operators on manifolds

Joachim Stubbe

We use the averaged variational principle introduced in a recent article on graph spectra [10] to obtain upper bounds for sums of eigenvalues of several partial differential operators of interest in geometric analysis, which are analogues of Kroger's bound ...

European Mathematical Soc2017

Nonadiabatic effects in electronic and nuclear dynamics

Majed Chergui, Ursula Röthlisberger, Jiri Vanicek, Martin Peter Bircher, Tomas Zimmermann, Elisa Liberatore, Aurélien Kevin Fabrice Patoz, Nicholas John Browning

Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi) static picture provided by th ...

2017

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