Related papers: The Ionization Conjecture in Hartree-Fock Theory
We consider the three-dimensional electron gas confined by a strictly two-dimensional homogeneous positive charge density at $z=0$. Within the Hartree-Fock approximation, we study the mode structure in the confined direction in the metallic…
Converged approximate density functional calculations usually do not bind anions, due to large self-interaction error. But Hartree-Fock calculations have no such prob- lem, producing negative HOMO energies. A recently proposed scheme for…
We present a symmetry projection technique for enforcing rotational and parity symmetries in nuclear-electronic Hartree-Fock wave functions, which treat electrons and nuclei on equal footing. The molecular Hamiltonian obeys rotational and…
The shape and absolute values of the generalized cross-sections of the two-photon resonant single ionization of the K-shell of ions of the isonuclear sequence of a heavy nickel atom (28Ni - Ni26+ - Ni24+ - Ni18+) have been theoretically…
We prove that a model atom having one bound state will be fully ionized by a time periodic potential of arbitrary strength $r$ and frequency $\omega$. The survival probability is for small $r$ given by $e^{-\Gamma t}$ for times of order…
We study the well-posedness of the reduced Hartree-Fock model for molecules and perfect crystals when taking into account a self-generated magnetic field. We exhibit a critical value $\alpha_c > 0$ such that, if the fine structure constant…
Bohr atomic model is based on the assumption that electrons on allowed quantized orbits do not radiate. Its main results include the values of the radii of circular quantized orbits and of the hydrogen atom energy levels. Quantum mechanical…
A fully relativistic calculation of the double photoionization of helium-like atoms is presented. The approach is based on the partial-wave representation of the Dirac continuum states and accounts for the retardation in the…
Hartree-Fock approximation suffers from two inabilities including i) the divergence of electron Fermi velocity , and ii) existence of bandwidth not confirmed experimentally. Here, we study the effects of minimal length on the ground state…
As the nuclear charge Z is continuously decreased an N-electron atom undergoes a binding-unbinding transition at some critical Z_c. We investigate whether the electrons remain bound when Z=Z_c and whether the radius of the system stays…
We study relativistic nuclear matter in the $\sigma - \omega$ model including the ring-sum correlation energy. The model parameters are adjusted self-consistently to give the canonical saturation density and binding energy per nucleon with…
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…
Classical nucleation theory is used to estimate the free-energy barrier to nucleation of the solid phase of particles interacting via a potential which has a short-ranged attraction. Due to the high interfacial tension between the fluid and…
An ab initio theory is devised for the x-ray photoabsorption cross section of atoms in the field of a moderately intense optical laser (800nm, 10^13 W/cm^2). The laser dresses the core-excited atomic states, which introduces a dependence of…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
Restricted open-shell Hartree-Fock (ROHF) theory is formulated as a projected self-consistent unrestricted HF (UHF) model by mathematically constraining spin density eigenvalues. The resulting constrained UHF (CUHF) wave function is…
We consider a bound system of charged particles moving in an external electromagnetic field, including leading relativistic corrections. The difference from the point particle with a magnetic moment comes from the presence of…
We present an effective field theory (EFT) for a model-independent description of deformed atomic nuclei. In leading order this approach recovers the well-known results from the collective model by Bohr and Mottelson. When higher-order…
The symmetric nuclear matter and pure neutron matter are investigated by the relativistic Brueckner-Hartree-Fock (RBHF) theory with the covariant chiral nuclear forces up to the next-to-leading order~(NLO). A fitting scheme to ensure the…
We consider the scattering theory for the defocusing energy subcritical wave equations with an inverse square potential. By employing the energy flux method we establish energy flux estimates on the light cone. Then by the characteristic…