Related papers: Analytic structure of solutions to multiconfigurat…
Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $2p^{5}~^{2}P^{o}$, $2p^4(^{3}P)3s~^{4}P$, $2p^4(^{3}P)3s~^{2}P$ and $2p^4(^{3}P)3p~^{4}S^o$ states of $^{19}$F~I to…
We prove that the dual rational homotopy groups of the configuration spaces of a 1-connected manifold of dimension at least 3 are uniformly representation stable in the sense of Church, and that their derived dual integral homotopy groups…
We consider a class of nonlinear Fokker-Planck equations describing the dynamics of an infinite population of units within mean-field interaction. Relying on a slow-fast viewpoint and on the theory of approximately invariant manifolds we…
We use a method based on metadynamics to locate multiple low-energy Unrestricted Hartree--Fock (UHF) self-consistent-field (SCF) solutions of two model octahedral $d^1$ and $d^2$ transition-metal complexes, $[\mathrm{MF}_6]^{3-} (\mathrm{M}…
By combining Hartree-Fock with a neural-network-supported quantum-cluster solver proposed recently in the context of solid-state lattice models, we formulate a scheme for selective neural-network configuration interaction (NNCI)…
The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model (CISM), the CI-RHF model can be applied to study the structural properties…
Let C_n(M) be the configuration space of n distinct ordered points in M. We prove that if M is any connected orientable manifold (closed or open), the homology groups H_i(C_n(M); Q) are representation stable in the sense of [Church-Farb].…
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
A new class of analytic wave functions is derived for two dimensional N-electron (2 <= N < infinity) systems in high magnetic fields. These functions are constructed through breaking (at the Hartree-Fock level) and subsequent restoration…
Focusing on multi-solitons for the Klein-Gordon equations, in first part of this paper, we establish their conditional asymptotic stability. In the second part of this paper, we classify pure multi-solitons which are solutions converging to…
In the limit of infinite spatial dimensions a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built for the Hubbard model when the total auxiliary single-site problem…
Wigner molecules formed at high magnetic fields in circular and elliptic quantum dots are studied by exact diagonalization (ED) and unrestricted Hartree-Fock (UHF) methods with multicenter basis of displaced lowest Landau level wave…
We prove that a wide class of models of Markov neighbor-dependent substitution processes on the integer line is solvable. This class contains some models of nucleotide substitutions recently introduced and studied empirically by molecular…
An analytical solution of the collective Bohr equation with a Coulomb-like and a Kratzer-like $\gamma-$unstable potential in quadrupole deformation space is presented. Eigenvalues and eigenfunctions are given in closed form and transition…
If $M$ is the complement of a hyperplane arrangement, and $A=H^*(M,\k)$ is the cohomology ring of $M$ over a field of characteristic 0, then the ranks, $\phi_k$, of the lower central series quotients of $\pi_1(M)$ can be computed from the…
For each positive integer $Q\in\mathbb{Z}_{\geq 2}$, we prove a multi-valued $C^{1,\alpha}$ regularity theorem for varifolds in the class $\mathcal{S}_Q$, i.e., stable codimension one stationary integral $n$-varifolds which have no…
In many applications to finite Fermi-systems, the pairing problem has to be treated exactly. We suggest a numerical method of exact solution based on SU(2) quasispin algebras and demonstrate its simplicity and practicality. We show that the…
Relativistic Hartree-Fock-Bogoliubov (RHFB) theory with density-dependent meson-nucleon couplings is presented. The integro-differential RHFB equations are solved by expanding the different components of the quasi-particle spinors in the…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
In this work, we prove the generalised Hyer Ulam stability of the following functional equation \begin{equation}\label{Eq-1} \phi(x)+\phi(y)+\phi(z)=q \phi\left(\sqrt[s]{\frac{x^s+y^s+z^s}{q}}\right),\qquad |q| \leq 1 \end{equation} and $s$…