Related papers: Exact exchange-correlation kernels for optical spe…
We propose two dimensional x-ray coherent correlation spectroscopy (2DXCS) for the study of interactions between core-electron and valence transitions. This technique might find experimental applications in the future when very high…
In experimental physics, it is essential to understand electromagnetic (EM) wave scattering across EM spectrum, from radio waves to X-rays, and is pivotal in driving photonics innovations. Recent advancements have uncovered phenomena like…
From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…
We first exploit the physical condition satisfying the symmetry relation of the ``exact'' spin-resolved exchange correlation kernel based on the ``mixed scheme'' in soft magnetic layered systems. The conditions are derived and examined by…
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…
Research into the efficiency of photosynthetic light harvesting has focused on two factors: (1) entanglement of chromophores, and (2) environmental noise. While chromophores are conjugated $\pi$-bonding molecules with strongly correlated…
A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part only of the Coulomb interaction. This expression interpolates…
The Exact-Exchange (EXX) Kohn-Sham formalism, which treats exchange interactions exactly within density-functional theory, is applied to one-dimensional periodic systems. The underlying implementation does not rely on specific symmetries of…
The critical temperature of high-$T_c$ superconductors is determined, at least in part, by the electron-phonon coupling. We include the effect of an exchange interaction between the electrons and calculate the renormalization of the bare…
Accurate exchange-correlation (XC) potentials for 3-dimensional systems -- via solution of the \emph{inverse} density functional theory (DFT) problem -- are now available to test the quality of DFT approximations. Herein, the \emph{exact}…
For a system with a fixed number of electrons, the total optical sum is a constant, independent of many-body interactions, of impurity scattering and of temperature. For a single band in a metal, such a sum rule is no longer independent of…
The effect of the exchange-correlation potential in ab initio electron transport calculations is investigated by constructing optimized effective potentials (OEP) using different energy functionals or the electron density from second-order…
Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper, we first briefly revisit its definition and relation to…
The f-sum rule is introduced and its applications to electronic and vibrational modes are discussed. A related integral over the intra-band part of sigma(omega) which is also valid for correlated electrons, becomes just the kinetic energy…
A phenomenological approach is presented that allows one to model, and thereby interpret, photoemission spectra of strongly correlated electron systems. A simple analytical formula for the self-energy is proposed. This self-energy describes…
Recently there has been a renewed interest in the calculation of exact-exchange and RPA correlation energies for realistic systems. These quantities are main ingredients of the so-called EXX/RPA+ scheme which has been shown to be a…
The observability of electronic coherence in electron transfer reactions is discussed. We show that under appropriate circumstances large-amplitude oscillations can be found in the electronic occupation probabilities. The initial…
Frequency-filtered photon correlations have been proven to be extremely useful in grasping how the detection process alters photon statistics. Harnessing the spectral correlations also permits refinement of the emission and unraveling of…
The energy dependence is investigated for a wide set of space-time characteristics derived from Bose - Einstein correlations of secondary pion pairs produced in proton-proton and nucleus-nucleus interactions. Analytic functions suggested…
Electronic coherences are key to understanding and controlling photo-induced molecular transformations. We identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to…