Related papers: Time-dependent natural orbitals and occupation num…
Modern extensions of density functional theory such as the density functional theory plus U and the density functional theory plus dynamical mean-field theory require choices, including selection of variable (charge vs spin density) for the…
The problem of spin precession in a time-dependent magnetic field is considered in the adiabatic approximation where the field direction or the angular velocity of its rotation is changing slowly. The precession angles are given by…
In this work, resolutions will be given for commonly stated problems associated with a model that assumes that space and time are discretized (i.e., atomized). This model is in contrast to the continuous space-time model that is used in all…
Observations reveal that mass-transferring binary systems may have non-zero orbital eccentricities. The time-evolution of the orbital semi-major axis and eccentricity of mass-transferring eccentric binary systems is an important part of…
Based on our previous study [IS3] on the stationary scattering theory for the Schrodinger operator on a manifold possessing an escape function we complete our investigation by doing the time-dependent counterpart. A particular class of…
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…
We study the occupation time statistics for non-Markovian random walkers based on the formalism of the generalized master equation for the Continuous-Time Random Walk. We also explore the case when the random walker additionally undergoes a…
Some of the most spectacular failures of density-functional and Hartree-Fock theories are related to an incorrect description of the so-called static electron correlation. Motivated by recent progress on the N-representability problem of…
A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the…
A general formula for the orbital magnetic moment of interacting electrons in solids is derived using the many-electron Green function method. The formula factorizes into two parts, a part that contains the information about the…
We present a new formulation of the time-dependent self-interaction correction (TDSIC). It is derived variationally obeying explicitly the constraints on orthonormality of the occupied single-particle orbitals. The thus emerging rather…
We propose an efficient basis expansion for electron orbitals to describe real-time electron dynamics in crystalline solids. Although a conventional grid representation in the three-dimensional Cartesian coordinates works robustly, it…
We analytically study the Out-of-Time-Order Correlation functions (OTOC) for two spatially separated primary operators in two-dimensional unitary minimal models. Besides giving general arguments using the conformal symmetry, we also use the…
The Donsker-Varadhan rate function for occupation-time fluctuations has been seen numerically to exhibit monotone return to stationary nonequilibrium [Phys. Rev. Lett. 107, 010601 (2011)]. That rate function is related to dynamical activity…
The standard way to find the orbital occupation of Jahn-Teller (JT) ions is to use structural data, with the assumption of a one-to-one correspondence between the orbital occupation and the associated JT distortion, e.g. in O6 octahedron.…
In our Comment we question the validity of the claim made by the authors of \cite{cc} that their solutions of the Dirac equation in an external {\em time-dependent} electromagnetic field describe beams of electrons. In every time-dependent…
We study in this article the mathematical properties of a class of orbital-free kinetic energy functionals. We prove that these models are linearly stable but nonlinearly unstable, in the sense that the corresponding kinetic energy…
We perform a systematic exact diagonalization study of spin-orbit coupling effects for stationary few-electron states confined in quasi two-dimensional double quantum dots. We describe the spin-orbit-interaction induced coupling between…
Focusing on the efficient probe and manipulation of single-particle spin states, we investigate the coupled spin and orbital dynamics of a spin 1/2 particle in a harmonic potential subject to ultrastrong spin-orbit interaction and external…
The Wigner delay time is addressed semiclassically using the Miller's S-matrix expressed in terms of open orbits. This leads to a very appealing expression, in terms of classical paths, for the energy averaged Wigner time delay in chaotic…