Related papers: Extension of the Random Phase Approximation includ…
This Ph.D. thesis derives the equations of the Faddeev Random Phase Approximation (FRPA) and applies the method to a set of small atoms and molecules. The occurence of RPA instabilities in the dissociation limit is addressed in molecules…
Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional…
This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…
Resonant inelastic X-ray scattering (RIXS) is used increasingly for characterizing low-energy collective excitations in materials. RIXS is a powerful probe, which often requires sophisticated theoretical descriptions to interpret the data.…
We discuss that in the random phase approximation (RPA) the first derivative of the energy with respect to the Green's function is the self-energy in the GW approximation. This relationship allows us to derive compact equations for the RPA…
We study phonon-induced relaxation of quantum states of a particle (e.g., electron or proton) in a rigid double-well potential in a solid. Relaxation rate due to Raman two-phonon processes have been computed. We show that in a two-state…
We propose a practical method to solve the random-phase approximation (RPA) in the self-consistent Hartree-Fock (HF) and density-functional theory. The method is based on numerical evaluation of the residual interactions utilizing finite…
Quantum entropies and state distances are analyzed in polaronic systems with short range (Holstein model) and long range (Fr$\ddot{o}$hlich model) electron-phonon coupling. These quantities are extracted by a variational wave function which…
The generation of quantum entanglement between phonons in photoirradiated remote electron-phonon systems is numerically studied. Upon excitation by a visible/ultraviolet laser pulse, the entanglement of electrons is immediately generated…
The ground states and excited states of the Lipkin model hamiltonian are calculated using a new theoretical approach which has been derived from an extended time-dependent Hartree-Fock theory known as the time-dependent density-matrix…
We calculate the phonon density of states (DOS) for strongly amorphous materials with a short-ranged interatomic potential. Exponentially decaying and abruptly truncated interatomic potentials are examined. Thermally excited mean square…
Resonance states of a two-electron quantum dot are studied using a variational expansion with both real basis-set functions and complex scaling methods. The two-electron entanglement (linear entropy) is calculated as a function of the…
A self-consistent formalism for the double beta decay of Fermi type is provided. The particle-particle channel of the two-body interaction is considered first in the mean field equations and then in the QRPA. The resulting approach is…
The main focus of this work is on the predictions made by the dielectric formalism in regard to the relationship between single-particle and collective excitation spectra in a gas of point-like charged bosons at finite temperature $T$ below…
A multiparticle quantum superposition state has been generated by a novel phase-selective parametric amplifier of an entangled two-photon state. This realization is expected to open a new field of investigations on the persistence of the…
The appearance of certain spectral features in one-dimensional (1D) cuprate materials has been attributed to a strong, extended attractive coupling between electrons. Here, using time-dependent density matrix renormalization group methods…
We study the two-alpha-particle (alpha-alpha) system in an Effective Field Theory (EFT) for halo-like systems. We propose a power counting that incorporates the subtle interplay of strong and electromagnetic forces leading to a narrow…
The dispersive resonant-state expansion, developed for an accurate calculation of the resonant states in open optical systems with frequency dispersion, is applied here to realistic materials, such as metallic nanoparticles and…
A first principles density functional based linear response theory (the so called Density Functional Perturbation theory \cite{dfpt}) has been combined separately with two recently developed formalism for a systematic study of the lattice…
Establishing a minimal microscopic model for cuprates is a key step towards the elucidation of a high-$T_c$ mechanism. By a quantitative comparison with a recent \emph{in situ} angle-resolved photoemission spectroscopy measurement in doped…