Related papers: Natural orbitals in multiconfiguration calculation…
We use the recently introduced single-particle states obtained from localized Deuteron wave-functions as a basis for nuclear many-body calculations. We show that energies can be substantially lowered if the natural orbits obtained from this…
It is well known that for many semilinear parabolic equations there is a global attractor which has a cell complex structure with finite dimensional cells. Additionally, many semilinear parabolic equations have equilibria with finite…
It is widely believed that quadratic divergences severely restrict natural constructions of particle physics models beyond the standard model (SM). Supersymmetry provides a beautiful solution, but the recent LHC experiments have excluded…
In the present letter, it is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual…
We describe a new, generally applicable strategy for the systematic construction of basis invariants (BIs). Our method allows one to count the number of mutually independent BIs and gives controlled access to the interrelations (syzygies)…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…
A high-order quadrature scheme is constructed for the evaluation of Laplace single and double layer potentials and their normal derivatives on smooth surfaces in three dimensions. The construction begins with a harmonic approximation of the…
From atomic crystals to bird flocks, most forms of order are captured by the concept of spontaneous symmetry breaking. This paradigm was challenged by the discovery of topological order, in materials where the number of accessible states is…
We present a vectorial formalism to determine the approximate solutions to the problem of a composite body made of $L$ homogeneous, rigidly rotating layers bounded by spheroidal surfaces. The method is based on the 1st-order expansion of…
Galaxies are self-gravitating structures composed by several components encompassing spherical, axial and triaxial symmetry. Although real systems feature heterogeneous components whose properties are intimately connected, semi-analytical…
We consider singular holomorphic foliations on compact complex surfaces with invariant rational nodal curve of positive self-intersection. Then, under some assumptions, we list all possible foliations.
Inverse optimization has been increasingly used to estimate unknown parameters in an optimization model based on decision data. We show that such a point estimation is insufficient in a prescriptive setting where the estimated parameters…
We argue that in the general relativistic calculation of planetary orbits, the choice of a reference frame which is an obligatory condition in the Newtonian approach is replaced by an appropriate boundary condition on the solution of…
We use the theory of hyperplane arrangements to construct natural bases for the homology of partition lattices of types A, B and D. This extends and explains the "splitting basis" for the homology of the partition lattice given in [Wa96],…
This paper defines a theory of conformal parametrization of digital surfaces made of surfels equipped with a normal vector. The main idea is to locally project each surfel to the tangent plane, therefore deforming its aspect-ratio. It is a…
We investigate structure that describes physical data in gravitational systems that is, to one degree or another, independent of the metric and affine structure. We dub such structure surplus structure and seek to incorporate it into our…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
The authors study the geometry of lightlike hypersurfaces on pseudo-Riemannian manifolds $(M, g)$ of Lorentzian signature. Such hypersurfaces are of interest in general relativity since they can be models of different types of physical…
On the basis of the "molecular-orbital" representation which describes generic flat-band models, we propose a systematic way to construct a class of flat-band models with finite-range hoppings that have topological natures. In these models,…
One method for the numerical treatment of future null-infinity is to decouple coordinates from the tensor basis and choose each in a careful manner. This dual-frame approach is hampered by logarithmically divergent terms that appear in a…