Related papers: An HFB scheme in natural orbitals
In Hamiltonian systems subjected to periodic perturbations the stable and unstable manifolds of the unstable periodic orbits provide the dynamical "skeleton" that drives the mixing process and bounds the chaotic regions of the phase space.…
We give an algorithm for solving equations and inequations with rational constraints in virtually free groups. Our algorithm is based on Rips classification of measured band complexes. Using canonical representatives, we deduce an algorithm…
The space fractional Cahn-Hilliard phase-field model is more adequate and accurate in the description of the formation and phase change mechanism than the classical Cahn-Hilliard model. In this article, we propose a temporal second-order…
It is usually asserted that physical Hamiltonians for fermions must contain an even number of fermion operators. This is indeed true in electronic structure theory. However, when the Jordan-Wigner transformation is used to map physical spin…
In this article, we discuss how a kind of hybrid computation, which employs symbolic, numeric, classic, and quantum algorithms, allows us to conduct Hartree-Fock electronic structure computation of molecules. In the proposed algorithm, we…
The existence of hyperbolic orbits is proved for a class of restricted three-body problems with a fixed energy by taking limit for a sequence of periodic solutions which are obtained by variational methods.
A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We apply Rothe's method to the time-dependent Hartree-Fock…
This paper proposes an efficient algorithm for solving the Hartree--Fock equation combining a multilevel correction scheme with an adaptive refinement technique to improve computational efficiency. The algorithm integrates a multilevel…
The existence of parabolic orbits is obtained for a class of singular Hamiltonian systems $\ddot{u}(t)+\nabla V(u(t))=0$ by taking limit for a sequence of non-collision periodic solutions which are obtained by Mountain Pass Lemma.
We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at…
A deformed relativistic Hartree Bogoliubov (RHB) theory in continuum is developed aiming at a proper description of exotic nuclei, particularly those with a large spatial extension. In order to give an adequate consideration of both the…
We consider the problem of time-optimal path planning for simple nonholonomic vehicles. In previous similar work, the vehicle has been simplified to a point mass and the obstacles have been stationary. Our formulation accounts for a…
We carry out state-of-the-art optimization of a nuclear energy density of Skyrme type in the framework of the Hartree-Fock-Bogoliubov (HFB) theory. The particle-hole and particle-particle channels are optimized simultaneously, and the…
We investigate the thermodynamic properties of an interacting Bose gas with a condensate within the energy-functional formulation of the Hartree-Fock-Bogoliubov (HFB) approach. For a contact interaction, we derive a self-consistent solution…
Background: For nuclei heavier than $^{208}$Pb $\alpha$ decay is a dominating decay mode, and in the search of new superheavy elements one often observes chains of $\alpha$ decays. Purpose: Explore and test microscopic descriptions of…
This work presents a novel approach to distribute orbitals into subspaces within electron-pairing-based natural orbital functionals (NOFs). This approach modifies the coupling between weakly and strongly occupied orbitals by applying an…
In this paper we apply the Fast Iterative Method (FIM) for solving general Hamilton-Jacobi-Bellman (HJB) equations and we compare the results with an accelerated version of the Fast Sweeping Method (FSM). We find that FIM can be indeed used…
In this paper we propose accelerated gradient descent schemes for convex optimization problems in Hilbert space. We consider inexact oracle case.
We introduce a new class of "filtered" schemes for some first order non-linear Hamilton-Jacobi-Bellman equations. The work follows recent ideas of Froese and Oberman (SIAM J. Numer. Anal., Vol 51, pp.423-444, 2013). The proposed schemes are…
The efficient numerical solution of fractional differential equations has been recently tackled through the definition of Fractional HBVMs (FHBVMs), a class of Runge-Kutta type methods. Corresponding Matlab (c) codes have been also made…