Related papers: The Wigner-Witmer diatomic eigenfunction
In Wigner-crystal states of two-dimensional electrons, the spin ordering remains poorly understood. The small energy differences between candidate spin orders make theoretical studies less reliable, and probing magnetic order at a nonzero…
We consider deflection of rotating symmetric molecules by inhomogeneous optical and static electric fields, compare results with the case of linear molecules, and find new singularities in the distribution of the scattering angle.…
We detail the rich electronic and vibrational structure of triatomic "butterfly" molecules, ultra-long-range Rydberg molecules bound by resonant $p$-wave scattering. We divide these molecules into two sub-classes depending on their parity…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
We explore the correlations and entanglements of exact-diagonalized few-electron wave functions in a quantum dot in magnetic fields without the Zeeman splitting. With the increase of the field, the lowest states with different spins…
We consider the problem of an atomic beam propagating quantum mechanically through an atom beam splitter. Casting the problem in an adiabatic representation (in the spirit of the Born-Oppenheimer approximation in molecular physics) sheds…
The new combined formulas have been established for the complex and real rotation-angular functions arising in the evaluation of two-center overlap integrals over arbitrary atomic orbitals in molecular coordinate system. These formulas can…
We study the few-body physics of trapped atoms or molecules with electric or magnetic dipole moments aligned by an external field. Using exact numerical diagonalization appropriate for the strongly correlated regime, as well as a classical…
We describe the results of experiments and simulations performed with the aim of extending photoelectron spectroscopy with intense laser pulses to the case of molecular compounds. Dimer frame photoelectron angular distributions generated by…
We study the properties of the discrete Wigner distribution for two qubits introduced by Wotters. In particular, we analyze the entanglement properties within the Wigner distribution picture by considering the negativity of the Wigner…
An operator that generates an approximate symmetry of long-range Rydberg molecules (LRRMs) formed by two alkali atoms, one in a Rydberg state and the other in the ground state, is identified. This is first done by evaluating the natural…
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 discuss the influence of periodic orbits on the dissociation of a model diatomic molecule driven by a strong bichromatic laser fields. Through the stability of periodic orbits we analyze the dissociation probability when parameters like…
The spatial Fourier spectrum of the electron density distribution in a finite 1D system and the distribution function of electrons over single-particle states are studied in detail to show that there are two universal features in their…
We derive a system of coupled partial differential equations for the equal-time Wigner function in an arbitrary strong electromagnetic field using the Dirac-Heisenberg-Wigner formalism. In the electrostatic limit, we present a 3+1-system of…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
The finite-basis, pair formulation of the Spectral Theory of chemical bonding is briefly surveyed. Solutions of the Born-Oppenheimer polyatomic Hamiltonian totally antisymmetric in electron exchange are obtained from diagonalization of an…
We propose to use the near-threshold electron scattering data for atoms to guide the reliable experimental determination of their electron affinities (EAs), extracted using the Wigner Threshold Law, from laser photodetachment threshold…
We consider eigenmodes of a ring resonator made of a circular dielectric waveguide. Taking into account the polarization corrections, which are responsible for the interaction of polarization and orbital properties of electromagnetic waves…
It is demonstrated that exact diagonalization of the microscopic many-body Hamiltonian via systematic full configuration-interaction (FCI) calculations is able to predict the spectra as a function of detuning of three-electron hybrid qubits…