相关论文: Regularity of the (N-1)-particle electronic reduce…

We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions, fixed nuclei, and N electrons (N>1). Near appropriate electronic collisions, we prove that the (N-1)-particle electronic…

We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions and fixed nuclei. Away from appropriate collisions, we prove the real analyticity of all the reduced densities and density…

We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [1,2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [3,4] and on…

The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a priori upper bound for such local distributions of the densities…

Molecular structure is often considered as emerging from the decoherence effect of the environment. Electrons are part of the environment of the nuclei in a molecule. In this work, their contribution to the classical-like geometrical…

Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…

We study the classical two-dimensional one-component plasma of $N$ positively charged point particles, interacting via the Coulomb potential and confined by an external potential. For the specific inverse temperature $\beta=1$ (in our…

The one-- and two-- particle densities of up to four interacting electrons with spin, confined within a quasi one--dimensional ``quantum dot'' are calculated by numerical diagonalization. The transition from a dense homogeneous charge…

We show that the Hamiltonian describing N nonrelativistic electrons with spin, interacting with the quantized radiation field and several fixed nuclei with total charge Z has a ground state when N <Z+1. The result holds for any value of the…

We study the relaxation of a non-equilibrium carrier distribution under the influence of the electron-electron interaction in the presence of disorder. Based on the Anderson model, our Hamiltonian is composed from a single particle part…

Matrix mechanics is developed to describe the bound state spectra in few- and many-electron atoms, ions and molecules. Our method is based on the matrix factorization of many-electron (or many-particle) Coulomb Hamiltonians which are…

Correlation among particles in finite quantum systems leads to complex behaviour and novel states of matter. One remarkable example is predicted to occur in a semiconductor quantum dot (QD) where at vanishing density the Coulomb correlation…

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron densities for densities determined from the same adiabatic…

We show that the non-relativistic theory of mutual coherence and localization in Coulomb-disordered media can be extended to relativistic electron beams used in transmission electron microscopy (TEM). Starting from the Dirac equation, we…

Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…

The properties of hydrogen at warm dense matter (WDM) conditions are of high importance for the understanding of astrophysical objects and technological applications such as inertial confinement fusion. In this work, we present extensive…

The electromagnetic(EM) interactions between charged protons on the correlations of nucleons are discussed by introducing the Anderson-Higgs mechanism of broken U(1) EM symmetry into the relativistic nuclear theory with a parametric photon…

We consider diatomic systems in which the kinetic energy of the electrons is treated in a simple relativistic model. The Born-Oppenheimer approximation is assumed. We investigate questions of stability, deducing bounds on the number $N$ of…

The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…