Related papers: Fitting a round peg into a round hole: asympotical…
Recently, ``Higgsless'' models of electroweak symmetry breaking have been proposed. Based on compactified five-dimensional gauge theories, these models achieve unitarity of electroweak boson self-interactions through the exchange of a tower…
Self-consistent calculations using the Perdew-Zunger self-interaction correction (PZ-SIC) to local density and gradient dependent energy functionals are presented for the binding energy and equilibrium geometry of small molecules as well as…
A fully analytical description of the allowed $\beta$ spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak…
We introduce a method for computing corrections to Bethe approximation for spin models on arbitrary lattices. Unlike cluster variational methods, the new approach takes into account fluctuations on all length scales. The derivation of the…
We consider the cumulant expansion of the PAM employing the hybridization as perturbation (Phys. Rev. B 50, 17933 (1994)), and we obtain formally exact one-electron Green's functions (GF). These GF contain effective cumulants that are as…
It is well known that exact notions of model abstraction and reduction for dynamical systems may not be robust enough in practice because they are highly sensitive to the specific choice of parameters. In this paper we consider this problem…
Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…
The construction of non-empirical density functional approximations is typically guided by the satisfaction of exact constraints. An important constraint is the recovery of the gradient expansion for slowly varying electron densities. In…
We investigate conformally coupled quantum matter fields on spherically symmetric, continuously self-similar backgrounds. By exploiting the symmetry associated with the self-similarity the general structure of the renormalized quantum…
We devise a scheme for converting an existing exchange functional into its range-separated hybrid variant. The underlying exchange hole of the Becke-Roussel type has the exact second-order expansion in the interelectron distance. The…
We generalize Regge theory to correlation functions in conformal field theories. This is done by exploring the analogy between Mellin amplitudes in AdS/CFT and S-matrix elements. In the process, we develop the conformal partial wave…
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.…
Density functional calculations on atoms are often used for determining accurate initial guesses as well as generating various types of pseudopotential approximations and efficient atomic-orbital basis sets for polyatomic calculations. To…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…
We analyze the error of approximating Gibbs states of local quantum spin Hamiltonians on lattices with Projected Entangled Pair States (PEPS) as a function of the bond dimension ($D$), temperature ($\beta^{-1}$), and system size ($N$).…
In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the…
An asymptotic corrected exchange hole potential analogous to Becke-Roussel [A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989)] is constructed by modeling the exchange hole using the generalized coordinate transformation based on…
The flexibility of common generalized gradient approximation for the exchange-correlation energy is investigated by monitoring the equilibrium volume of transition metals. It is shown that no universal gradient-level approximation yielding…
Attaining a reliable complete basis set (CBS) limit remains a significant challenge in ab initio correlated electronic-structure calculations. Building on our previous work for atoms and diatomic molecules, we present a finite-element (FE)…
Quasinormal modes of rapidly rotating black holes were recently computed in a generic effective-field-theory extension of general relativity with higher-derivative corrections. We exploit this breakthrough to perform the most complete…