Related papers: Direct unconstrained variable-metric localization …
This note summarizes the motivation for extending current density-functional theory to include nonlocal one-electron potentials, and proposes methodology for practical calculations. The theoretical model, orbital functional theory, has been…
In this paper we develop further a method for detecting unstable periodic orbits (UPOs) by stabilising transformations, where the strategy is to transform the system of interest in such a way that the orbits become stable. The main…
Motivated by previous investigations on the radiative effects of the electric dipoles embedded in structured cavities, localization of electromagnetic waves in two dimensions is studied {\it ab initio} for a system consisting of many…
We introduce a novel approach to perform first-order optimization with orthogonal and unitary constraints. This approach is based on a parametrization stemming from Lie group theory through the exponential map. The parametrization…
The collision avoidance constraints are prominent as non-convex, non-differentiable, and challenging when defined in optimization-based motion planning problems. To overcome these issues, this paper presents a novel non-conservative…
We study the quantum localization phenomena of noninteracting particles in one-dimensional lattices based on tight-binding models with various forms of hopping terms beyond the nearest neighbor, which are generalizations of the famous…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
Complete orthonormal sets of exponential-type orbitals with non-integer principal quantum numbers are discussed as basis functions in non-relativistic Hartree-Fock-Roothaan electronic structure calculations of atoms. A method is proposed to…
Transverse linearization-based approaches have become among the most prominent methods for orbitally stabilizing feedback design in regards to (periodic) motions of underactuated mechanical systems. Yet, in an $n$-dimensional state-space,…
This paper explores transverse coordinates for the purpose of orbitally stabilizing periodic motions of nonlinear, control-affine dynamical systems. It is shown that the dynamics of any (minimal or excessive) set of transverse coordinates,…
We introduce the concept of compressed convolution, a technique to convolve a given data set with a large number of non-orthogonal kernels. In typical applications our technique drastically reduces the effective number of computations. The…
Analysis of quantum dot structures is a current topic with important applications in solid-state digital logic design, quantum information technology and quantum optics. In this work, we show a variational formulation for the solution of…
Complete waveform models able to account for arbitrary non-planar orbits represent a holy grail in current gravitational-wave astronomy. Here, we take a step towards this direction and present a simple yet efficient prescription to obtain…
In this paper we introduce an interlacing condition on the elements of a family of operators that allows us to gather together a number of results on fixed points and common fixed points for single and families of mappings defined on metric…
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…
We prove the existence of a set of two-scale magnetic Wannier orbitals w_{m,n}(r) on the infinite plane. The quantum numbers of these states are the positions {m,n} of their centers which form a von Neumann lattice. Function w_{00}localized…
We demonstrate that the local nonfreeness, an unbiased measure of correlation between electrons at a single lattice site, can be computed as the mutual information between local natural spin orbitals. This leads us to prove a general…
We develop the foundations of an effective-one-body (EOB) model for eccentric binary coalescences that includes the conservative dynamics, radiation reaction, and gravitational waveform modes from the inspiral and the merger-ringdown…
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. In this article, we analyze the nature and the type of…
In this contribution, the optimal stabilization problem of periodic orbits is studied via invariant manifold theory and symplectic geometry. The stable manifold theory for the optimal point stabilization case is generalized to the case of…