Related papers: A Simple One-Electron Expression for Electron Rota…
For a system without spin-orbit coupling, the (i) nuclear plus electronic linear momentum and (ii) nuclear plus orbital electronic angular momentum are good quantum numbers. Thus, when a molecular system undergoes a nonadiabatic transition,…
The possibility to switch the damping rate for a one-electron oscillator is demonstrated, for an electron that oscillates along the magnetic field axis in a Penning trap. Strong axial damping can be switched on to allow this oscillation to…
This pre-print deals with the one dimensional Hubbard model, as described by the Pseudofermion Dynamical Theory (PDT), with the purpose of (1) deriving a novel expression for the one electron spectral function for all values of the on-site…
A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…
We demonstrate that, for systems with spin-orbit coupling and an odd number of electrons, the standard fewest switches surface hopping (FSSH) algorithm does not conserve the total linear or angular momentum. This lack of conservation arises…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
Calculations for two electrons in an elliptic quantum dot, using symmetry breaking at the unrestricted Hartree-Fock level and subsequent restoration of the broken parity via projection techniques, show that the electrons can localize and…
A new explicitly correlated functional form for expanding the wave function of an N-particle system with arbitrary angular momentum and parity is presented. We develop the projection-based approach, numerically exploited in our previous…
A simple expression for the conductance steps in the inelastic electron tunneling from spin excitations in a single magnetic atom adsorbed on a non-magnetic metal surfaces is derived. The inelastic coupling between the tunneling electron…
We consider a fractional variant of Maxwell's equations, where the electric and magnetic fields are modeled as two-point fields. To formulate the system, we introduce a fractional curl operator that is compatible with the fractional…
We show here that the model Hamiltonian used in our paper for ion vibrating in a q-analog harmonic oscillator trap and interacting with a classical single-mode light field is indeed obtained by replacing the usual bosonic creation and…
In Paper I, the effective one-electron potentials (OEP) method was introduced and demonstrated as an efficient approach to reduce the computational cost of evaluation of the charge-transfer interaction energy within the effective fragment…
The concept of the effective one-electron potentials (OEP) has been useful for many decades in efficient description of electronic structure of chemical systems, especially extended molecular aggregates such as interacting molecules in…
In this work, the transition matrix elements for inelastic electron--electron scattering are investigated. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in…
We calculate the one-electron spectral function of the attractive (negative-$U$) Hubbard model. We work in the intermediate coupling and low density regime and obtain the self-energy in an approximate analytical form. The excitation…
The momentum, electronic density, spin density, and interaction dependences of the exponents that control the $(k,\omega)$-plane singular features of the $\sigma =\uparrow,\downarrow$ one-electron spectral functions of the 1D Hubbard model…
A new class of analytic and parameter-free, strongly correlated wave functions of simple functional form is derived for few electrons in two-dimensional quantum dots under high magnetic fields. These wave functions are constructed through…
Due to the angular condition in the light-front dynamics (LFD), the extraction of the electromagnetic form factors for spin-1 particles can be uniquely determined taking into account implicitly non-valence and/or the zero-mode contributions…
We present a theoretical framework for deriving the general $n$-th order Fr\'echet derivatives of singular values in real rectangular matrices, by leveraging reduced resolvent operators from Kato's analytic perturbation theory for…
We construct a microscopic model for f-electron systems, composed of f-electron hopping, Coulomb interaction, and crystalline electric field (CEF) terms. In order to clarify the meaning of one f-electron state, here the j-j coupling scheme…