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This thesis addresses advances in the field of computational Nuclear Magnetic Resonance (NMR) with two specific objectives: 1) developing an approach enabling the direct probing of intramolecular electronic effects on molecular properties; 2) assessing and ...
Recently, generalizations of fractional quantum Hall (FQH) states known as fractional quantum anomalous Hall or, equivalently, fractional Chern insulators states, have been realized in lattice models. Ideal wave functions such as the Laughlin wave function ...
This is an overview of a program of stochastic deformation of the mathematical tools of classical mechanics, in the Lagrangian and Hamiltonian approaches. It can also be regarded as a stochastic version of Geometric Mechanics.The main idea is to construct ...
We consider semiclassical Schr"odinger operators on the real line of the form H(ℏ)=−ℏ2dx2d2+V(⋅;ℏ) with ℏ>0 small. The potential V is assumed to be smooth, positive and exponentially decaying towards infinity. We e ...
The quasi-equilibrium behaviour of isolated nuclear spin systems in full and reduced Liouville spaces is discussed. We focus in particular on the reduced Liouville spaces used in the low-order correlations in Liouville space (LCL) simulation method, a rest ...
We show that phase space bounds on the eigenvalues of Schrodinger operators can be derived from universal bounds recently obtained by E. M. Harrell and the author via a monotonicity property with respect to coupling constants. In particular, we provide a n ...
Light nuclei at room temperature and below exhibit a kinetic energy which significantly deviates from the predictions of classical statistical mechanics. This quantum kinetic energy is responsible for a wide variety of isotope effects of interest in fields ...
A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species[ SiOZr(CH2CMe3)(3)], obtained on a silica dehydroxylated at 900 degrees C, ...
We prove trace identities for commutators of operators, which are used to derive sum rules and sharp universal bounds for the eigenvalues of periodic Schrodinger operators and Schrodinger operators on immersed manifolds. In particular, we prove bounds on t ...
A class of Neumann type systems are derived separating the spatial and temporal variables for the 2+1 dimensional Caudrey-Dodd-Gibbon-Kotera-Sawada (CDGKS) equation and the modified Korteweg-de Vries (mKdV) hierarchy. The Lax-Moser matrix of Neumann type s ...
