Related papers: Almost Exact Exchange At Almost No Cost
Almost-dispersionless pulse transfer between the extremal masses of a uniform harmonic spring-mass chain of arbitrary length can be induced by suitably modifying two masses and their spring's elastic constant at both extrema of the chain.…
We prove that sufficiently many copies of a bipartite entangled pure state can always be transformed into some copies of another one with certainty by local quantum operations and classical communication. The efficiency of such a…
A standing assumption in the literature on proportional transaction costs is efficient friction. Together with robust no free lunch with vanishing risk, it rules out strategies of infinite variation, as they usually appear in frictionless…
Consider the spatial restricted three-body problem, as a model for the motion of a spacecraft relative to the Sun-Earth system. We focus on the dynamics near the equilibrium point $L_1$, located between the Sun and the Earth. We show that…
Exchangeability is a central notion in statistics and probability theory. The assumption that an infinite sequence of data points is exchangeable is at the core of Bayesian statistics. However, finite exchangeability as a statistical…
Modern density functional approximations achieve moderate accuracy at low computational cost for many electronic structure calculations. Some background is given relating the gradient expansion of density functional theory to the WKB…
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…
Periodic approximations of quasicrystals are a powerful tool in analyzing spectra of Schr\"odinger operators arising from quasicrystals, given the known theory for periodic crystals. Namely, we seek periodic operators whose spectra…
We prove six theorems concerning exponentially accurate semiclassical quantum mechanics. Two of these theorems are known results, but have new proofs. Under appropriate hypotheses, they conclude that the exact and approximate dynamics of an…
We show theoretically that arbitrary coherent rotations can be performed quickly (with a gating time ~1 ns) and with high fidelity on the spin of a single confined electron using control of exchange only, without the need for spin-orbit…
We investigate a market without money in which agents can offer certain goods (or multiple copies of an agent-specific good) in exchange for goods of other agents. The exchange must be balanced in the sense that each agent should receive a…
In this work, we developed and showcased the occ-RI-K algorithm to compute the exact exchange contribution in density functional calculations of solids near the basis set limit. Within the gaussian planewave (GPW) density fitting, our…
In this theoretical work we investigate superexchange, as a means of indirect exchange interaction between two single electron spin qubits, each embedded in a single semiconductor quantum dot (QD). The exchange interaction is mediated by an…
We initiate the rigorous study of classification in semimetric spaces, which are point sets with a distance function that is non-negative and symmetric, but need not satisfy the triangle inequality. For metric spaces, the doubling dimension…
The one-particle exchange in the double folded model is analyzed. To this aim the Extended Thomas-Fermi approach to the one-body density matrix is used. The nucleon- nucleon force with Yukawa, Gauss and Coulomb-type form factors are…
We study the two band degenerate Hubbard model using the Fluctuation Exchange approximation (FLEX) method and compare the results with Quantum Monte-Carlo calculations. Both the self-consistent and the non-self-consistent versions of the…
The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…
By exploiting freedoms in the definitions of 'correlation', 'exchange' and 'Hartree' physics in ensemble systems we better generalise the notion of 'exact exchange' (EXX) to systems with fractional occupations functions of the frontier…
An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the…
We give a reduction from $(1+\varepsilon)$-approximate Earth Mover's Distance (EMD) to $(1+\varepsilon)$-approximate Closest Pair (CP). As a consequence, we improve the fastest known approximation algorithm for high-dimensional EMD. Here,…