Related papers: Time-dependent density functional theory of high e…
An analytic description of laser-assisted electron-atom scattering (LAES) in an elliptically polarized field is presented using time-dependent effective range (TDER) theory to treat both electron-laser and electron-atom interactions…
We study the scattering of Dirac electrons of circular graphene quantum dot with mass-inverted subject to electrostatic potential. The obtained solutions of the energy spectrum are used to determine the scattering coefficients at the…
We provide a complete and exact quantum description of coherent light scattering in a one-dimensional multi-mode transmission line coupled to a two-level emitter. Using recently developed scattering approach we discuss transmission…
Based on a functional-integral formalism, a generalization of the self-energy-functional theory (SFT) is proposed which is applicable to systems of interacting electrons with disorder. Similar to the pure case without disorder, a…
The adiabatic approximation in time-dependent density functional theory (TDDFT) is known to give an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition…
R-matrix with time-dependence theory is applied to electron-impact ionisation processes for He in the S-wave model. Cross sections for electron-impact excitation, ionisation and ionisation with excitation for impact energies between 25 and…
We present the formalism of Time-dependent Exchange Perturbation Theory (TDEPT) built to all orders of perturbation, for the arbitrary time dependency of perturbation. The theory takes into account the rearrangement of electrons among…
A strict bidimensional (strict-2D) exact-exchange (EE) formalism within the framework of density-functional theory (DFT) has been developed and applied to the case of an electron gas subjected to a strong perpendicular magnetic field, that…
The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply.…
A complete and consistent inversion technique is proposed to derive an accurate interaction potential from an effective-range function for a given partial wave in the neutral case. First, the effective-range function is Taylor or Pad\'e…
Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of molecular multipole moments thus characterizes errors in…
A slight modification of one axiom of quantum theory changes a reversible theory into a time asymmetric theory. Whereas the standard Hilbert space axiom does not distinguish mathematically between the space of states (in-states of…
The theory of a response of a two-energy-level system, irradiated by symmetrical light pulses, has been developed.(Suchlike electronic system approximates under the definite conditions a single ideal quantum well (QW) in a strong magnetic…
The mechanism of decoherence for a quantum system with rotational degrees of freedom is studied. From a simple model of elastic scattering, we show that the non-diagonal density matrix elements of the system exponentially decay. The decay…
One-dimensional quantum scattering from a local potential barrier is considered. Analytical properties of the scattering amplitudes have been investigated by means of the integral equations equivalent to the Schrodinger equations. The…
Simulating electron-ion dynamics using time-dependent density functional theory within an Ehrenfest dynamics scheme can be done in two ways that are in principle exact and identical: propagating time-dependent electronic Kohn-Sham equations…
Octahedral Fe$^{2+}$ molecules are particularly interesting as they often exhibit a spin-crossover transition. In spite of the many efforts aimed at assessing the performances of density functional theory for such systems, an…
We are concerned with the justification of the statement, commonly (explicitly or implicitly) used in quantum scattering theory, that for a free non-relativistic quantum particle with initial wave function $\Psi_0(\boldsymbol{x})$,…
The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…
Spectral functions do not fully describe quasielastic electron and neutrino scattering from nuclei because they only model the initial state. Final state interactions distort the shape of the differential cross section at the peak and…