Related papers: Natural orbitals in multiconfiguration calculation…
By decomposing the regular representation of a particular (Heisenberg-like) Lie supergroup into irreducible subspaces, we show that not all of them can be obtained by applying geometric quantization to coadjoint orbits with an even…
This work presents a new parametrisation suitable for parameter-space studies of heliocentric Earth-impacting orbits. Originally motivated by the issue of potentially hazardous asteroids (PHAs) and the mitigation of such a risk, we show…
The projection of the eigenfunctions obtained in standard plane-wave first-principle calculations is used for analyzing atomic-orbital basis sets. The "spilling" defining the error in such a projection allows the evaluation of the quality…
Astronomical observations, physical experiments as well as computer simulations often involve discrete data sets supposed to represent a fair sample of an underlying smooth and continuous field. Reconstructing the underlying fields from a…
Relativity is an integral part of positioning systems, and this is taken into account in today's practice by applying many "relativistic corrections" to computations performed using concepts borrowed from Galilean physics. A different,…
A many body Hamiltonian comprising pairing, quadrupole-quadrupole and spin-spin interaction is treated within a projected spherical basis with the aim of describing the detailed structure of the magnetic states of orbital and spin-flip…
A pure two-body problem has seven integrals including the Kepler energy, the Laplace vector, and the angular momentum vector. However, only five of them are independent. When the five independent integrals are preserved, the two other…
An analytic reversible Hamiltonian system with two degrees of freedom is studied in a neighborhood of its symmetric heteroclinic connection made up of a symmetric saddle-center, a symmetric orientable saddle periodic orbit lying in the same…
We present a novel orbit parameterization in spherical coordinates. This parameterization enables the mixing of varying and invariant orbital parameters, and clarifies the physics of the orbit. It also simplifies the process of placing…
Multisite local orbitals, which are formed from linear combinations of pseudo-atomic orbitals from a target atom and its neighbor atoms, have been introduced in the large-scale density functional theory calculation code CONQUEST. Multisite…
Physical observables cannot depend on the basis one chooses to describe fields. Therefore, all physically relevant properties of a model are, in principle, expressible in terms of basis-invariant combinations of the parameters. However, in…
Geometric modeling of multivariate reliability polynomials is based on algebraic hypersurfaces, constant level sets, rulings etc. The solved basic problems are: (i) find the reliability polynomial using the Maple and Matlab software…
We present a novel algorithm which can overcome the drawbacks of the conventional linear scaling method with minimal computational overhead. This is achieved by introducing additional constraints, thus eliminating the redundancy of the…
The Backlund Transform, first developed in the context of differential geometry, has been classically used to obtain multi-soliton states in completely integrable infinite dimensional dynamical systems. It has recently been used to study…
One of basic difficulties of machine learning is handling unknown rotations of objects, for example in image recognition. A related problem is evaluation of similarity of shapes, for example of two chemical molecules, for which direct…
The analytic energy gradients with respect to nuclear motion are derived for natural orbital functional (NOF) theory. The resulting equations do not require to resort to linear-response theory, so the computation of NOF energy gradients is…
Planetary exploration increasingly relies on autonomous robotic systems capable of perceiving, interpreting, and reconstructing their surroundings in the absence of global positioning or real-time communication with Earth. Rovers operating…
We consider the general spatial three body problem and study the dynamics of planetary systems consisting of a star and two planets which evolve into 2/1 mean motion resonance and into inclined orbits. Our study is focused on the periodic…
We have extended the spectral dynamics formalism introduced by Binney & Spergel, and have implemented a semi-analytic method to represent regular orbits in any potential, making full use of their regularity. We use the spectral analysis…
We consider a rational map f:S->S of a complex projective surface together with an invariant meromorphic two form. Under a mild topological assumption on the map, we show that the zeroes of the invariant form can be eliminated by birational…