Related papers: RPA, an accurate and fast method for the computati…
The random phase approximation (RPA) systematically overestimates the magnitude of the correlation energy and generally underestimates cohesive energies. This originates in part from the complete lack of exchange terms, which would…
The widespread use of (generalized) Kohn-Sham density functional theory (KS-DFT) lies in the fact that hierarchical sets of approximations of the exchange-correlation (XC) energy functional can be designed, offering versatile choices to…
Estimating the region of attraction (ROA) of general nonlinear autonomous systems remains a challenging problem and requires a case-by-case analysis. Leveraging the universal approximation property of neural networks, in this paper, we…
We derive the self-consistent random phase approximations (sc-RPA) from the projective truncation approximation (PTA) for the equation of motion of two-time Green's function. The obtained sc-RPA applies to arbitrary temperature and recovers…
We explore a separable resolution-of-the-identity formalism built on quadratures over limited sets of real-space points designed for all-electron calculations. Our implementation preserves in particular the use of common atomic orbitals and…
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
We use a solvable model to perform modified dyson mapping and reveal the unphysical-state effects in the original Random Phase Approximation (RPA). We then propose a method to introduce the RPA and improve it based on a Boson mapping.
Coupled equations for even and odd particle number correlation functions are set up via the equation of motion method. For the even particle number case this leads to self-consistent RPA (SCRPA) equations already known from the literature.…
Dissipativity is an input-output (IO) characterization of nonlinear systems that enables compositional robust control through Vidyasagar's Network Dissipativity Theorem (VDNT). However, determining the dissipativity of a system is an…
Nucleon self-energies for 40Ca, 48Ca, 60Ca isotopes are generated with the microscopic Faddeev-random-phase approximation (FRPA). These self-energies are compared with potentials from the dispersive optical model (DOM) that were obtained…
Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…
The future applications of the short-duration, multi-MeV ion beams produced in the interaction of high-intensity laser pulses with solid targets will require improvements in the conversion efficiency, peak ion energy, beam monochromaticity,…
We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the localized resolution of identity scheme. The more efficient…
This paper concerns a class of DC composite optimization problems which, as an extension of convex composite optimization problems and DC programs with nonsmooth components, often arises in robust factorization models of low-rank matrix…
Efficient estimation of nonlinear properties is a significant yet challenging task from quantum information processing to many-body physics. Current methodologies often suffer from an exponential sampling cost or require auxiliary qubits…
Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source prediction method has been available. To overcome this, we…
We theoretically investigate the prospects for photoassociation (PA) of Rb$_3$, in particular at close range. We provide an overview of accessible states and possible transitions. The major focus is placed on the calculation of equilibrium…
Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…
Working within an exactly solvable 3 level model, we discuss am extension of the Random Phase Approximation (RPA) based on a boson formalism. A boson Hamiltonian is defined via a mapping procedure and its expansion truncated at four-boson…
We apply the effective potential analytic continuation (EPAC) method to the calculation of real time quantum correlation functions involving operators nonlinear in the position operator $\hat{q}$. For a harmonic system the EPAC method…