Related papers: Phase-amplitude functional theory -- new ab initio…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
A wavefunction for single- and many-photon states is defined by associating photons with different momenta to different spectral and polarization components of the classical, generally complex, electromagnetic field that propagates in a…
A new approach to find exact solutions to one--dimensional quantum mechanical systems is devised. The scheme is based on the introduction of a potential function for the wavefunction, and the equation it satisfies. We recover known…
Quantum mechanical scalar particle with polarizability is considered in the presence of the Coulomb field. Separation of variables is performed with the use of Wigner $D$-functions, the radial system of 15 equations is reduced to a single…
We have calculated the one-loop scattering amplitude of an electron by an external Coulomb potential in QED free of infrared divergences. This feature is achieved by applying the Faddeev-Kulish formalism, which implies a redefinition of…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
In effective field theory physical quantities, in particular observables, are expressed as a power series in terms of a small expansion parameter. For non-perturbative systems, for instance nuclear physics, this requires the…
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
A new method to calculate the spectrum using cascaded open systems and master equations is presented. The method uses two state analyzer atoms which are coupled to the system of interest, whose spectrum of radiation is read from the…
A new quantum mechanical wave equation describing a particle with frictional forces is derived. It depends on a parameter $\alpha$ whose range is determined by the coefficient of friction $\gamma$, that is, $0 \leq \alpha \leq \gamma$. For…
Amplitude- and truncated partial-wave analyses are combined into a single procedure and a novel, almost theory-independent single-channel method for extracting multipoles directly from measured data is developed. In practice, we have…
General theorem describing a relation between diagonal of one-electron density matrix and a certain class of many-electron ensembles of determinant states is proved. As a corollary to this theorem a constructive proof of sufficiency of…
We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of…
Using a generalisation of the detailed balance for systems maintained out of equilibrium by contact with 2 reservoirs at unequal temperatures or at unequal densities, we recover the fluctuation theorem for the large deviation funtion of the…
Based on recent progress on fermionic exchange symmetry we propose a way to develop new functionals for reduced density matrix functional theory. For some settings with an odd number of electrons, by assuming saturation of the inequalities…
Within the framework of potential scattering theory we derive an analytical two-potential formula for the on-shell partial wave scattering amplitude. This formula embodies a large number of possible applications, including long range…
The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via…
We present a more general form of the Schr\"odinger equation in curvilinear space that is exposed to external fields. Thereby, we solve the wave equation with the Cornell plus harmonic potentials (CHP) under the influence of the magnetic…