Related papers: The Hartree-Fock equations in modulation spaces
We study the Hartree-Fock model for pseudorelativistic atoms, that is, atoms where the kinetic energy of the electrons is given by the pseudorelativistic operator \sqrt{(pc)^2+(mc^2)^2}-mc^2. We prove the existence of a Hartree-Fock…
This paper studies the well-posedness of a class of nonlocal parabolic partial differential equations (PDEs), or equivalently equilibrium Hamilton-Jacobi-Bellman equations, which has a strong tie with the characterization of the equilibrium…
The local well-posedness problem is considered for the Dirac-Klein-Gordon system in two space dimensions for data in Fourier-Lebesgue spaces $\hat{H}^{s,r}$ , where $\|f\|_{\hat{H}^{s,r}} = \| \langle \xi \rangle^s \hat{f}\|_{L^{r'}}$ and…
In this article, we consider quantum crystals with defects in the reduced Hartree-Fock framework. The nuclei are supposed to be classical particles arranged around a reference periodic configuration. The perturbation is assumed to be small…
External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…
This study presents an evaluation of derivative-free optimization algorithms for the direct minimization of Hartree-Fock-Roothaan energy functionals involving nonlinear orbital parameters and quantum numbers with noninteger order. The…
An implementation of the Hartree-Fock (HF) method capable of robust convergence for well-behaved arbitrary central potentials is presented. The Hartree-Fock equations are converted to a generalized eigenvalue problem by employing a B-spline…
We introduce the Hamiltonian dynamics with the Hartree-Fock energy in new {\it wave-matrix} picture. Roughly speaking, the wave matrix is defined as the square root of the density matrix. The corresponding Hamiltonian equations are…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
We consider fractional Hartree and cubic nonlinear Schr\"odinger equations on Euclidean space $\mathbb R^d$ and on torus $\mathbb T^d$. We establish norm inflation (a stronger phenomena than standard ill-posedness) at every initial data in…
The Hartree-Fock equations are modified to directly yield Wannier functions following a proposal of Shukla et al. [Chem. Phys. Lett. 262, 213-218 (1996)]. This approach circumvents the a posteriori application of the Wannier transformation…
We show how to derive an effective nonlinear dynamics, described by the Hartree-Fock equations, for fermionic quantum particles confined to a two-dimensional box and in presence of an external, uniform magnetic field. The derivation invokes…
The Schroedinger equation with the nonlinearity concentrated at a single point proves to be an interesting and important model for the analysis of long-time behavior of solutions, such as the asymptotic stability of solitary waves and…
We discuss the conservation of angular momentum in nuclear time-dependent Hartree-Fock calculations for a numerical representation of wave functions and potentials on a three-dimensional cartesian grid. Free rotation of a deformed nucleus…
We study the Hartree-Fock equation and the Hartree-Fock energy functional universally used in many-electron problems. We prove that the set of all critical values of the Hartree-Fock energy functional less than a constant smaller than the…
We consider the cubic non-linear Schr\"odinger equation on general closed (compact without boundary) Riemannian surfaces. The problem is known to be locally well-posed in $H^s(M)$ for $s>1/2$. Global well-posedness for $s\geq 1$ follows…
We consider a Hartree equation for a random variable, which describes the temporal evolution of infinitely many Fermions. On the Euclidean space, this equation possesses equilibria which are not localised. We show their stability through a…
Thanks to an approach inspired from Burq-Lebeau \cite{bule}, we prove stochastic versions of Strichartz estimates for Schr\"odinger with harmonic potential. As a consequence, we show that the nonlinear Schr\"odinger equation with quadratic…
In this paper, we derive a generalized multiplicative Hardy-Littlewood-Polya type inequality, as well as several related additive inequalities, for functions of operators in Hilbert spaces. In addition, we find the modulus of continuity of…
We prove two new results about the Cauchy problem for nonlinear Schroedinger equations on four-dimensional compact manifolds. The first one concerns global wellposedness for Hartree-type nonlinearities and includes approximations of cubic…