相关论文: Adiabatic connection interaction strength interpol…
ATI can be followed by an inelastic collision of the ionized electron with the parent atomic particle resulting in an excitation of the ion. It may be a continuum state excitation producing the doubly charged ion or a discrete state which…
In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…
It is known that the adiabatic approximation in time-dependent density functional theory usually provides a good description of low-lying excitations of molecules. In the present work, the capability of the adiabatic nonempirical…
We discuss and clarify a simple and accurate interpolation scheme for the spin-resolved electron static structure factor (and corresponding pair correlation function) of the 3D unpolarized homogeneous electron gas which, along with some…
The correlation energy per electron in the high-density uniform electron gas can be written as $\Ec(r_s,\zeta) = \lam_0(\zeta) \ln r_s + \eps_0(\zeta) + \lam_1(\zeta) \,r_s \ln r_s + O(r_s)$, where $r_s$ is the Seitz radius and $\zeta$ is…
We investigate a number of formal properties of the adiabatic strictly-correlated electrons (SCE) functional, relevant for time-dependent potentials and for kernels in linear response time-dependent density functional theory. Among the…
The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…
The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…
We extend the rigorous adiabatic coupled-channel formalism to ultracold nonreactive atom-molecule collisions in the presence of an external magnetic field. The wavefunction of the collision complex is expanded in adiabatic basis states…
We have combined our adaptive configuration interaction (ACI) [J.B. Schriber and F.A. Evangelista, J. Chem. Phys. 144, 161106 (2016)] with a density-fitted implementation of the second-order perturbative multireference driven similarity…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
We apply the renormalized singles with correlation (RSc) Green's function in the $GW$ approximation to calculate accurate quasiparticle (QP) energies and orbitals. The RSc Green's function includes all orders of singles contributions from…
We determine the incoherent spectrum, squeezing properties and second-order correlation function of the collective atomic degrees of freedom in absorptive optical bistability. This is accomplished via a linearized Fokker-Planck equation in…
The nuclear response to longitudinally polarized electrons, detected in coincidence with out-of-plane high-energy protons, is discussed in a simple model where the ejectile wave function is approximated as a plane wave with a complex wave…
Exploring new topological phenomena and functionalities induced by strong electron correlation has been a central issue in modern condensed-matter physics. One example is a topological insulator (TI) state and its functionality driven by…
An outstanding problem in statistical mechanics is the determination of whether prescribed functional forms of the pair correlation function $g_2(r)$ [or equivalently, structure factor $S(k)$] at some number density $\rho$ can be achieved…
The coupling energies between the buckled dimers of the Si(001) surface were determined through analysis of the anisotropic critical behavior of its order-disorder phase transition. Spot profiles in high-resolution low-energy electron…
We study the Higgs mode of a strongly-interacting Fermi gas in the crossover regime between a fermionic and bosonic superfluid. By periodically modulating the interaction strength of the gas, we parametrically excite the Higgs mode and…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
Exact calculations are performed on the two-dimensional strongly interacting, unpolarized, uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of…