Related papers: Becke-Johnson-type exchange potential for two-dime…
We derive Edgeworth expansions that describe corrections to the Gaussian limiting behaviour of slow-fast systems. The Edgeworth expansion is achieved using a semi-group formalism for the transfer operator, where a Duhamel-Dyson series is…
Time-dependent density functional theory has emerged as a method of choice for calculations of spectra and response properties in physics, chemistry, and biology, with its system-size scaling enabling computations on systems much larger…
We apply the point form of relativistic quantum mechanics to develop a Poincare invariant coupled-channel formalism for two-particle systems interacting via one-particle exchange. This approach takes the exchange particle explicitly into…
We generalize the recently introduced single-boson exchange formalism to nonlocal interactions. In the functional renormalization group application to the extended Hubbard model in two dimensions, we show that the flow of the rest function…
We provide a rationale for a new class of double-hybrid approximations introduced by Br\'emond and Adamo [J. Chem. Phys. 135, 024106 (2011)] which combine an exchange-correlation density functional with Hartree-Fock exchange weighted by…
This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I with a focus on isomorphs in the low-temperature gas and liquid phases. As expected from the EXP system's strong virial…
Correlated quantum many-particle systems out of equilibrium are of high interest in many fields, including correlated solids, ultracold atoms or dense plasmas. Accurate theoretical description of these systems is challenging both,…
A semi-relativistic density-functional theory that includes spin-orbit couplings and Zeeman fields on equal footing with the electromagnetic potentials, is an appealing framework to develop a unified first-principles computational approach…
We consider the parity-violating two-pion-exchange potential obtained from the covariant formalism in the past and the state-of-the-art effective field theory approach. We discuss the behavior of the potential in coordinate space and its…
The performance of density functional theory depends largely on the approximation applied for the exchange functional. We propose here a novel screened exchange potential for semiconductors, with parameters based on the physical properties…
We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into…
We propose an extension of quasi-Newton methods, and investigate the convergence and the robustness properties of the proposed update formulae for the approximate Hessian matrix. Fletcher has studied a variational problem which derives the…
A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non- adiabatic approximations. The components are…
Previous studies have used numerical methods to optimize the hyperpolarizability of a one-dimensional quantum system. These studies were used to suggest properties of one-dimensional organic molecules, such as the degree of modulation of…
New density functional theory approach based on a complete active space self-consistent field (CASSCF) reference function in Extended Koopmans' approximation is discussed. Recently, the number of generalizations of density functional theory…
The aim of this paper is to discuss both higher-order asymptotic expansions and skewed approximations for the Bayesian Discrepancy Measure for testing precise statistical hypotheses. In particular, we derive results on third-order…
We compute the corrections from two-photon and photon-Z exchange in parity-violating elastic electron-proton scattering, used to extract the strange form factors of the proton. We use a hadronic formalism that successfully reconciled the…
Accounting for dispersion interactions is essential in approximate density functional theory (DFT). Often, a correction potential based on the London formula is added, which is damped at short distances to avoid divergence and double…
We have trapped a gas of long-lifetime, high-mobility excitons in an in-plane harmonic potential. Trapping is an important step toward the goal of a controlled Bose-Einstein condensate of excitons. We show that the repulsive interaction…
This paper develops an extension of infinite-dimensional backstepping method for parabolic and hyperbolic systems in one spatial dimension with two actuators. Typically, PDE backstepping is applied in 1-D domains with an actuator at one…