Related papers: Faddeev Random Phase Approximation for Molecules
We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. Only diatomic molecules are considered. The…
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (eEDM), in order to explore physics beyond the Standard Model, requires a synergy…
We present a numerically efficient technique to evaluate the Green's function for extended two dimensional systems without relying on periodic boundary conditions. Different regions of interest, or `patches', are connected using self energy…
The generation of high-order harmonics in diatomic molecules is investigated within the framework of the strong-field approximation. We show that the conventional saddle-point approximation is not suitable for large internuclear distances.…
For a one-dimensional electron-phonon system we consider the photon absorption involving electronic excitations within the pseudogap energy range. In the framework of the adiabatic approximation for the electron - phonon interactions these…
A quasi-relativistic two-component approach for an efficient calculation of $\mathcal{P,T}$-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex…
A new version of random phase approximation is proposed for low-energy harmonic vibrations in nuclei. The theory is not based on the quasi-particle vacuum of the BCS/HFB ground state, but on the pair condensate determined in Ref. [4]. The…
A new scheme has been proposed to solve the B.E. condenstates in terms of Green's function approach. It has been shown that the radial wave function of two interacting atoms, moving in a common harmonic oscillator potential modified by an…
It is well known that the ground-state correlation energy from the particle-hole channel of the random phase approximation (RPA) is formally equivalent to that from a simplified coupled cluster doubles (CCD) model that includes only ring…
We investigate polyatomic ultralong-range Rydberg molecules consisting of three ground state atoms bound to a Rydberg atom via $s$- and $p$-wave interactions. By employing the finite basis set representation of the unperturbed Rydberg…
Several photoemission spectroscopies and, in particular, Auger spectroscopy, involve double-ionization processes. For the numerical simulation of these spectroscopies it is convenient to use the particle-particle channel of the two-body…
Obtaining cross sections for nuclear reactions at intermediate energies based on the Glauber formulation has a long tradition. Only recently the energy regime of a few hundred MeV has become accessible to ab-initio Faddeev calculations of…
The Faddeev equation for three-body scattering at arbitrary energies is formulated in momentum space and directly solved in terms of momentum vectors without employing a partial wave decomposition. In its simplest form the Faddeev equation…
We present a quantum kinetic approach for the time-resolved description of many-body effects in photoionization processes in atoms. The method is based on the non-equilibrium Green functions formalism and solves the Keldysh/Kadanoff-Baym…
We present implementation of second- and third-order algebraic diagrammatic construction theory for efficient and accurate computations of molecular electron affinities (EA), ionization potentials (IP), and densities of states…
Recently, modulation of the energy bandgap of graphene when gas molecules are adsorbed to its surface has been proved to be possible. Motivated by this, based on numerical calculations, we investigate the effect of the associated bandgap…
Single-particle resonances are crucial for exotic nuclei near and beyond the drip lines. Since the majority of nuclei are deformed, the interplay between deformation and orbital structure near threshold becomes very important and can lead…
Differential Faddeev equations in total angular momentum representation are used for the first time to investigate ultra-low energy elastic scattering of a helium atom on a helium dimer. Six potential models of interatomic interaction are…
We present a model space particle-hole Green's function calculation for the quadrupole excitations of cold Fermi gas near Feshbach resonance using a simple model where atoms are confined in a harmonic oscillator potential. Both the…
Thermoelectric properties of a two-level molecule attached to the metallic electrodes are analyzed using the equation of motion technique within the Green function formalism. Results show that the electrical conductance is strongly…