Related papers: Exploring Avenues Beyond Revised DSD Functionals: …
We report transport properties and particle current rectification operation in a double-stranded tight-binding ladder network within non-equilibrium Green's function (NEGF) formalism that can easily be generalized in multi-stranded systems.…
New physics effects through the direct CP violation and the decay rate change are investigated in the semileptonic $D_{l4}$ decays, $D^\pm\to K\pi l^\pm \nu$, by including a scalar-exchange interaction with a complex coupling. In the decay…
This paper extends the study of resonance phenomenon initiated by the authors in~\cite{LS} to the case of doubly degenerate embedded eigenvalues (i.e. eigenvalue of multiplicity two). A fundamentally new concept is introduced to resolve the…
We introduce a perturbative approximation to the combined density functional theory and multireference configuration interaction (DFT/MRCI) method. The method, termed DFT/MRCI(2), results from the application of quasi-degenerate…
We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our…
The second-order multireference driven similarity renormalization group perturbation theory (DSRG-MRPT2) theory provides an efficient means of correcting the dynamical correlation with the multiconfiguration reference function. The…
Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…
We develop the theory justifying the application of the density-based basis-set correction (DBBSC) method to double-hybrid approximations in order to accelerate their basis convergence. We show that, for the oneparameter double hybrids…
Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to…
A promising characteristic of Deep Reinforcement Learning (DRL) is its capability to learn optimal policy in an end-to-end manner without relying on feature engineering. However, most approaches assume a fully observable state space, i.e.…
Digital Predistortion (DPD) is a popular technique to enhance signal quality in wideband RF power amplifiers (PAs). With increasing bandwidth and data rates, DPD faces significant energy consumption challenges during deployment, contrasting…
The study of defects in materials is of utmost importance for technological applications and the design of new materials. In this work, we analyze the performance of density functional approximations on two prototypical sets of defective…
We formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [Phys. Rev. A 49, 2421 (1994)] that enforces the ionization potential (IP) theorem following Stein et al.…
The dipole excitations for calcium and zirconium isotopes are studied within the fully self-consistent Hartree-Fock mean field incorporated with the renormalized random-phase approximation (RRPA) using the Skyrme interaction SLy5. The RRPA…
We propose new approach for treatment of local and non-local interactions in correlated electronic systems, which uses self-energy and the two-particle irreducible vertices, obtained from (extended) dynamical mean-field theory, as an input…
Self-consistent correlation potentials for H$_2$ and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond…
Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of…
Local field correction effects on intra-layer inelastic scattering rate of interacting electrons are theoretically investigated in a coupled-quantum-wells structure, at finite temperature. At first, temperature dependent dynamic dielectric…
Thanks to the broadband nature of the Distributed Acoustic Sensing (DAS) measurement, a roadside section of the Stanford DAS-2 array can record seismic signals from various sources. For example, it measures the earth's quasi-static…
The Martin-Siggia-Rose (MSR) functional integral technique is applied to the dynamics of a D - dimensional manifold in a melt of similar manifolds. The integration over the collective variables of the melt can be simply implemented in the…