Related papers: Efficient Random Phase Approximation for Diradical…
A two-component system of penetrable particles interacting via a gaussian core potential is considered, which may serve as a crude model for binary polymer solutions. The pair structure and thermodynamic properties are calculated within the…
Attaining a reliable complete basis set (CBS) limit remains a significant challenge in ab initio correlated electronic-structure calculations. Building on our previous work for atoms and diatomic molecules, we present a finite-element (FE)…
Double-beta decay matrix elements (ME) for $^{76}Ge$ are calculated with different quasi random phase approximation (QRPA)-based methods. First, the ME for the two-neutrino mode are computed using two choices for the single particle (s.p.)…
A method to calculate the nuclear double beta decay ($2\nu\beta\beta$- and $0\nu\beta\beta$-) amplitudes within the continuum random phase approximation (cQRPA) is formulated. Calculations of the $\beta\beta$ transition amplitudes within…
We study the RPA equations in their most general form by taking the matrix elements appearing in the RPA equations as random. This yields either a unitarily or an orthogonally invariant random-matrix model which is not of the Cartan type.…
A two-parameter extension of the density-scaled double hybrid approach of Sharkas et al. [J. Chem. Phys. 134, 064113 (2011)] is presented. It is based on the explicit treatment of a fraction of multideterminantal exact exchange. The…
Roles of antinucleon degrees of freedom in the relativistic random phase approximation(RPA) are investigated. The energy-weighted sum of the RPA transition strengths is expressed in terms of the double commutator between the excitation…
We have developed a fully consistent framework for calculations in the Quasiparticle Random Phase Approximation (QRPA) with $NN$ interactions from the Similarity Renormalization Group (SRG) and other unitary transformations of realistic…
We study a system of diffusing point particles in which any triplet of particles reacts and is removed from the system when the relative proximity of the constituent particles satisfies a predefined condition. Proximity-based reaction…
In this article we present a modification of classical Radial Basis Function (RBF) interpolation techniques aimed at reducing oscillations near discontinuities in one and two dimensions. Our approach introduces an adaptive mechanism by…
The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…
The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the…
Selecting excitations in localized orbitals to calculate long-range correlation contributions to range-separated density-functional theory can reduce the overall computational effort significantly. Beyond simple selection schemes of excited…
The accuracy of the Faddeev random phase approximation (FRPA) method is tested by calculating the total and ionization energies of a set of light atoms up to Ar. Comparisons are made with the results of coupled-cluster singles and doubles…
We use the Reversibility Error Method and the Fidelity to analyze the global effects of a small perturbation in a non-integrable system. Both methods have already been proposed and used in the literature but the aim of this paper is to…
We introduce analysis of orbital parities as a concept and a tool for understanding radicals. Based on fundamental reduced one- and two-electron density matrices, our approach allows us to evaluate a total measure of radical character and…
In this work, we investigate how multinucleon enhancement and RPA (Random Phase Approximation) suppression can affect the measurement of three unknown neutrino oscillation parameters - the CP-violating phase $\delta_{CP}$, the octant of the…
Mixing single and triple fermions an exact killing operator of the Coupled Cluster Doubles (CCD) wave function with good symmetry was found in \cite{Tohy13}. Using these operators with the equation of motion (EOM) method the so-called…
The Quasiparticle Random Phase Approximation equations are solved taking into account the Pauli Principle at the expectation value level, and allowing changes in the mean field occupation numbers to minimize the energy while having the…
The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…