Related papers: Phase-amplitude functional theory -- new ab initio…
We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…
We present a new method of ab-initio electronic-structure calculation including the spin-fluctuation (SF) self-consistently. We start from the Luttinger-Ward functional given as the sum of the LDA functional plus the temperature-dependent…
Stochastic density functional theory is applied to analyze the conductivity of strong two species electrolytes at arbitrary field strengths. The corresponding stochastic equations for the density of the electrolyte species are solved by…
Electrons colliding with spatially fixed ions in strong laser fields are investigated by solving the time-dependent Schr\"odinger equation. Considering first simple one-dimensional model systems, the mechanisms and energy spectra of fast…
The concept of phase space amplitudes for systems with continuous degrees of freedom is generalized to finite-dimensional spin systems. Complex amplitudes are obtained on both a sphere and a finite lattice, in each case enabling a more…
A covariant method is proposed for calculating the amplitudes of processes involving polarized spin 1/2 particles. It is suitable for calculating the interference terms in the cross sections of such processes. As an illustration,…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
We have developed a systematic approach to calculate the correlation function for spin-1/2 particles, incorporating both central and noncentral components of the interparticle interaction. This is achieved by extending the variable phase…
Baryons containing two heavy quarks are treated in the Born-Oppenheimer approximation. Schr\"odinger equation for two center Coulomb plus harmonic oscillator potential is solved by the method of ethalon equation at large intercenter…
We study the Schroedinger equation of a class of two-level systems under the action of a periodic time-dependent external field in the situation where the energy difference 2epsilon between the free energy levels is sufficiently small with…
New sets of functions with arbitrary large finite cardinality are constructed for two-electron atoms. Functions from these sets exactly satisfy the Kato's cusp conditions. The new functions are special linear combinations of Hylleraas-…
We develop a self-consistent first-principle method based on the density functional theory. Physical quantities, such as the density of states, Fermi energy and electron density are obtained using a time-dependent random state method…
Using a hydrogen molecule as a test system we demonstrate how to compute the effective potential according to the formalism of the new density functional theory (DFT), in which the basic variable is the set of spherically averaged densities…
We consider the problem of numerically solving the Schr\"odinger equation with a potential that is quasi periodic in space and time. We introduce a numerical scheme based on a newly developed multi-time scale and averaging technique. We…
Starting from the Schr\"odinger-equation of a composite system, we derive unified dynamics of a classical harmonic system coupled to an arbitrary quantized system. The classical subsystem is described by random phase-space coordinates…
General equations for the calculation of amplitudes are presented. As an illustration of application of proposed formulae we calculate electron-electron scattering amplitudes.
We present an analysis of the two-dimensional Schrodinger equation for two electrons interacting via Coulombic force and confined in an anizotropic harmonic potential. The separable case of wy = 2wx is studied particularly carefully. The…
We develop a simple model of shape resonances in electron-molecule collisions that is based on the modified effective-range expansion and analytical solutions of the Schrodinger equation for the long-range part of the interaction potential.…
In the preceding Part II, we derived variational equations for the phonon Fourier amplitudes and for the Fourier amplitudes of the fractional contribution of the electronic bands to the trial variational state. These equations are now…
An ensemble Green's function formalism, based on the von Neumann density matrix approach, to calculate one-electron excitation spectra of a many-electron system with degenerate ground states is proposed. A set of iterative equations for the…