Related papers: ROHF Theory Made Simple
With the time dependent Hartree-Fock (TDHF) theory, capture thresholds $E_{\rm cap}$ for 144 fusion systems with nearly spherical nuclei are systematically studied for the first time. We find that for the reactions between doubly-magic…
A set of relativistic mean field models is constructed including the Hartree and Hartree-Fock approximation accounting for the exchange of isoscalar and isovector mesons as well as the pion. Density dependent coupling functions are…
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 show that the Hartree-Fock (HF) results cannot be reproduced within the framework of Kohn-Sham (KS) theory because the single-particle densities of finite systems obtained within the HF calculations are not $v$-representable, i.e., do…
In this paper, we present the Reduced Order Hysteretic Flux (ROHF) model to describe the relationship between time-varying transport current and internal magnetic flux for composite superconductors. The ROHF model is parametrized using…
In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles…
In this article, we consider the extended Kohn-Sham model for atoms subjected to cylindrically-symmetric external potentials. The variational approximation of the model and the construction of appropriate discretization spaces are detailed…
Energy barriers, which control the rates of chemical reactions, are seriously underestimated by computationally-efficient semi-local approximations for the exchange-correlation energy. The accuracy of a semi-local density functional…
The recent progress in the studies of nuclear charge-exchange excitations with localized covariant density functional theory is briefly presented, by taking the fine structure of spin-dipole excitations in 16O as an example. It is shown…
Numerical difficulties associated with computing matrix elements of operators between Hartree-Fock-Bogoliubov (HFB) wavefunctions have plagued the development of HFB-based many-body theories for decades. The problem arises from divisions by…
Adopting the density dependent relativistic mean-field (RMF) and relativistic Hartree-Fock (RHF) approaches, the properties of the nuclear fourth-order symmetry energy $S_4$ are studied within the covariant density functional (CDF) theory.…
We propose two different schemes for second-order perturbation theory with spin-projected Hartree-Fock. Both schemes employ the same ansatz for the first-order wave function, which is a linear combination of spin-projected configurations.…
Projected Hartree-Fock theory (PHF) has a long history in quantum chemistry. PHF is here understood as the variational determination of an N-electron broken symmetry Slater determinant that minimizes the energy of a projected state with the…
We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock…
The process of renormalisation in nonperturbative Hamiltonian Effective Field Theory (HEFT) is examined in the $\Delta$-resonance scattering channel. As an extension of effective field theory incorporating the L\"uscher formalism, HEFT…
A conformal restriction system is a commutative, associative, unital algebra equipped with a representation of the groupoid of univalent conformal maps on connected open sets of the Riemann sphere, and a family of linear functionals on…
As a contribution to the study of Hartree-Fock theory we prove rigorously that the Hartree-Fock approximation to the ground state of the d-dimensional Hubbard model leads to saturated ferromagnetism when the particle density (more…
The one-band Hubbard model at half-filling on a truncated tetrahedron (C$_{12}$), and on the C$_{60}$ molecule is studied. Within the Hartree-Fock approximation, we find a magnetic-like instability of the `Fermi sea' towards a spin-ordered…
The Woods-Saxon basis has been suggested to replace the widely used harmonic oscillator basis for solving the relativistic mean field (RMF) theory in order to generalize it to study exotic nuclei. As examples, relativistic Hartree theory is…
This work establishes the time-dependent relativistic Hartree-Fock (TD-RHF) model with spherical symmetry for the first time. The time-dependent integro-differential Dirac equations are solved by expanding Dirac spinors on the spherical…