Related papers: Optical saturation driven by exciton confinement i…
The simultaneous condensation of electronic and structural degrees of freedom gives rise to new states of matter, including superconductivity and charge-density-wave formation. When exciting such a condensed system, it is commonly assumed…
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…
Motivated by an experiment in which the singlet-triplet gap in triphenylene based copolymers was effectively tuned, we used time dependent density functional theory (TDDFT) to reproduce the main results. By means of conventional and…
Material anisotropy and chirality produce polarization-dependent light-matter interactions. Absorption leads to linear and circular dichroism, whereas elastic forward scattering produces linear and circular birefringence. Here we highlight…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
The real part of optical conductivity $\text{Re}\sigma(\omega)$ of the Mott insulators has a large amount of information on how spin and charge degrees of freedom interact with each other. By using the time-dependent density-matrix…
Density functional theory (DFT) is one of the most widely used tools to solve the many-body Schrodinger equation. The core uncertainty inside DFT theory is the exchange-correlation (XC) functional, the exact form of which is still unknown.…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
Time-dependent (TD) density functional theory (TDDFT) promises a numerically tractable account of many-body electron dynamics provided good simple approximations are developed for the exchange-correlation (XC) potential functional (XCPF).…
Organic semiconductor crystals stand out as an efficient, cheap and diverse platform for realising optoelectronic applications. The optical response of these crystals is governed by a rich tapestry of exciton physics. So far, little is…
We extend the density functional perturbation theory formalism to the case of non-collinear magnetism. The main problem comes with the exchange-correlation (XC) potential derivatives, which are the only ones that are affected by the…
State-of-the-art methods for calculating neutral excitation energies are typically demanding and limited to single electron-hole pairs and their composite plasmons. Here we introduce excitonic density-functional theory (XDFT) a…
Entanglement of the excitonic states in the system of two coupled semiconductor microcrystallites, whose sizes are much larger than the Bohr radius of exciton in bulk semiconductor but smaller than the relevant optical wavelength, is…
Collective coherent scattering of laser light induces strong light forces between polarizable point particles. These dipole forces are strongly enhanced in magnitude and distance within the field of an optical waveguide so that at low…
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…
Inspired by the work of Kamenev and Kohn, we present a general discussion of the two-terminal dc conductance of molecular devices within the framework of Time Dependent Current-Density Functional Theory. We derive a formally exact…
Optical trapping has been proven to be an effective method of separating exciton-polariton condensates from the incoherent high-energy excitonic reservoir located at the pumping laser position. This technique has significantly improved the…
The conductance of atomic size contacts has a small, random, voltage dependent component analogous to conductance fluctuations observed in diffusive wires (UCF). A new effect is observed in gold contacts, consisting of a marked suppression…
The peculiar crystal structure of one-dimensional molecular solids originates from packing of an array of molecules in which intermolecular interactions are dominantly dispersive, including hydrogen-bond, van der Waals and London-type…
We study the high-energy behavior of the elastic scattering amplitude using two distinct unitarization schemes: the eikonal and the $U$-matrix. Our analysis begins with a formalism involving solely Pomerons, incorporating pion-loop…