Related papers: Constrained Random Phase Approximation: the spectr…
We propose a staggered mesh method for correlation energy calculations of periodic systems under the random phase approximation (RPA), which generalizes the recently developed staggered mesh method for periodic second order…
We present a technique which allows us to solve the Random Phase Approximation equations with finite-range interactions and treats the continuum part of the excitation spectrum without approximations. The interaction used in the…
The lowest quadrupole $\gamma$-vibrational $K^{\pi}=2^+$ states in axially deformed rare-earth (Nd, Sm, Gd, Dy, Er, Yb, Hf, W) and actinide (U) nuclei are systematically investigated within the separable random-phase-approximation (SRPA)…
The Hartree-Fock-RPA approach is applied to the 1D anti-ferromagnetic Heisenberg model in the Jordan-Wigner representation. Somewhat contrary to expectation, this leads to reasonable results for spectral functions and sum rules in the…
In this paper we present a spectral collocation method for the fast evaluation of the Landau collision operator for plasma physics, which allows us to obtain spectrally accurate numerical solutions. The method is inspired by the seminal…
We introduce stochastic GW with the orthogonalized projector augmented-wave method (OPAW-sGW). This implementation enables accurate quasiparticle band gaps on significantly coarser real-space grids than norm-conserving pseudopotential sGW…
We present a combination of local density approximation (LDA) with the dynamical cluster approximation (LDA+DCA) in the framework of the full-potential linear augmented plane-wave method, and compare our LDA+DCA results for SrVO$_3$ to LDA…
This paper presents the Distributed Primal Outer Approximation (DiPOA) algorithm for solving Sparse Convex Programming (SCP) problems with separable structures, efficiently, and in a decentralized manner. The DiPOA algorithm development…
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In…
A combination of density functional theory in its local density approximation (LDA) with k- and $\omega $ dependent self-energy found from fluctuational-exchange-type random phase approximation (FLEX-RPA) is utilized here to study…
Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA) or generalized gradient approximation (GGA). In this work,…
Linear response theory, commonly known as the random phase approximation (RPA), predicts a rich magnetic excitation spectrum for d-wave superconductors. Many of the features predicted by such calculations appear to be reflected in inelastic…
Virtually imaged phased array (VIPA) spectrometers provide high resolution and fast acquisition in a compact design, but their performance as dispersive instruments is sensitive to fabrication tolerances, component dimensions, and…
Several emerging microscopy imaging methods rely on complex interactions between the incident light and the sample. These include interferometry, spectroscopy, and nonlinear optics. Reconstructing a sample from the measured scattered field…
The so-called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U) has been implemented within the all-electron projector augmented-wave method (PAW), and then used to compute the insulating antiferromagnetic…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…
Multivariate global polynomial approximations - such as polynomial chaos or stochastic collocation methods - are now in widespread use for sensitivity analysis and uncertainty quantification. The pseudospectral variety of these methods uses…
We assess the performance of a recently proposed renormalized adiabatic local density approximation (rALDA) for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the…
Random Projection (RP) technique has been widely applied in many scenarios because it can reduce high-dimensional features into low-dimensional space within short time and meet the need of real-time analysis of massive data. There is an…
We present an analytic proof demonstrating the equivalence between the Random Phase Approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the Coupled Cluster Doubles (CCD) equations. In the CCD…