Related papers: ROHF Theory Made Simple
Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an…
This is extended version of a previously submitted paper, in which special solutions of the Hartree-Fock (HF) problem for Coulomb interacting electrons, being described by a simple model of the Cu-O planes in La2CuO4, are presented. One of…
The relativistic optical model potential (OMP) for nucleon-nucleus scattering is investigated in the framework of Dirac-Brueckner-Hartree-Fock (DBHF) approach using the Bonn-B One-Boson- Exchange potential for the bare nucleon-nucleon…
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…
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…
Let $(M,\omega)$ be an aspherical symplectic manifold, which is closed or convex. Let $U$ be an open set in $M$, which admits a circle action generated by an autonomous Hamiltonian $H \in C^\infty(U)$, such that each orbit of the circle…
In this work, a relation is found between state dependence of bulk observables in the gauge/gravity correspondence and nonperturbative diffeomorphism invariance. Certain bulk constraints, such as the black hole information paradox, appear…
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}…
The Weak Gravity Conjecture is typically stated as a bound on the mass-to-charge ratio of a particle in the theory. Alternatively, it has been proposed that its natural formulation is in terms of the existence of a particle which is…
A discrete Funk--Hecke formula is set up using the analogy between ordinary and operator spherical harmonics. It is the fuzzy sphere analogue of the conventional theory. An example is related, in the classical limit, to the Rayleigh partial…
We consider space-cutoff $P(\varphi)_{2}$ models with a variable metric of the form \[ H= \d\G(\omega)+ \int_{\rr}g(x):P(x, \varphi(x)):\d x, \] on the bosonic Fock space $L^{2}(\rr)$, where the kinetic energy $\omega= h^{\12}$ is the…
We model the Hartree-exchange-correlation potential of Kohn-Sham density-functional theory adopting a novel strategy inspired by the strictly-correlated-electrons limit and relying on the exact decomposition of the potential based on the…
A ferrofluid droplet confined in a Hele-Shaw cell can be deformed into a stably spinning ``gear,'' using crossed magnetic fields. Previously, fully nonlinear simulation revealed that the spinning gear emerges as a stable traveling wave…
Time-dependent Hartree-Fock (TDHF) is one of the fundamental post-Hartree-Fock (HF) methods to describe excited states. In its Tamm-Dancoff form, equivalent to Configuration Interaction Singles, it is still widely used and particularly…
Relativistic Brueckner-Hartree-Fock (RBHF) theory in the full Dirac space allows one to determine uniquely the momentum dependence of scalar and vector components of the single-particle potentials. In order to extend this new method from…
We relate the relativistic finite range mean-field model (RMF-FR) to the point-coupling variant and compare the nonlinear density dependence. From this, the effective Hamiltonian of the nonlinear point-coupling model in the nonrelativistic…
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 introduce the first multiorbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…
Most {\em ab initio} calculations on fullerene molecules have been carried out based on the paradigm of the H\"uckel model. This is consistent with the restricted nature of the independent-particle model underlying such calculations, even…