Related papers: Natural occupation numbers: When do they vanish?
We revisit the coalescence behavior of the atomic Schr\"odinger wave functions from the angle of an operator product expansion (OPE) within the nonrelativistic Coulomb-Schr\"odinger effective field theory. We take the electron-nucleus…
A detailed study of energy differences between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO gaps) in protein systems and water clusters is presented. Recent work questioning the applicability of Kohn-Sham…
We consider $2p\ge 4$ order differential operator on the real line with a periodic coefficients. The spectrum of this operator is absolutely continuous and is a union of spectral bands separated by gaps. We define the Lyapunov function,…
Quantum theory combines density matrices, Born probabilities, tensor-product composites, positive-operator-valued measures (POVMs), and quantum channels. In a finite-dimensional causal operational theory, we prove that two postulates…
We obtain a unique continuation result at infinity for fully nonlinear elliptic integro-differential operators of order 2s which satisfy the maximum and minimum principles in bounded subdomains, under the decay assumption $o(|x|^{-(N+2s)})$…
We study the dynamics of area-preserving maps in a non-compact setting. We show that the $C^{\infty}$-closing lemma holds for area-preserving diffeomorphisms on a closed surface with finitely many points removed. As a corollary, a…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…
Wave-particle duality is one of the basic features of quantum mechanics, giving rise to the use of complex numbers in describing states of quantum systems, their dynamics, and interaction. Since the inception of quantum theory, it has been…
We show that all density operators of 2$\times N$--dimensional quantum systems that remain invariant after partial transposition with respect to the first system are separable. Based on this criterion, we derive a sufficient separability…
We investigate the emergence of non-Markovian dynamics in finite-dimensional open quantum systems governed by Weyl dynamical maps and their convex combinations. Using the Hermite normal form, we provide a complete classification of the…
Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system…
The charge transport properties of zero-temperature multi-orbital quantum dot systems with one dot coupled to leads and the other dots coupled only capacitatively are studied within density functional theory. It is shown that the setup is…
It is shown that, in the non-relativistic limit, causal fermion systems give rise to an effective collapse theory. The nonlinear and stochastic correction terms to the Schr\"odinger equation are derived from the causal action principle. The…
The most important law of radioactivity is that of the exponential decay. In the realm of quantum mechanics, however, this decay law is neither rigorous nor fundamental. The deviations from the exponential decay have been observed…
In this paper we study the local behavior of a solution to second order elliptic operators with sharp singular coefficients in lower order terms. One of the main results is the bound on the vanishing order of the solution, which is a…
Campbell's theorem enables the embedding of 4D anti-deSitter space in 5D canonical space, so a particle becomes a wave in the extra dimension, running through spacetime. This model of wave-particle duality provides a new approach to…
We perform theoretical investigation of the localized state dynamics in the presence of interaction with the reservoir and Coulomb correlations. We analyze kinetic equations for electron occupation numbers with different spins taking into…
Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW^0-method for the dynamical self-energy is…
The occupation time of an age-dependent branching particle system in $\Rd$ is considered, where the initial population is a Poisson random field and the particles are subject to symmetric $\alpha$-stable migration, critical binary branching…