Related papers: Hartree-Fock dynamics in highly excited quantum do…
Many-electron dynamics induced by a symmetric monocycle electric-field pulse of large amplitude is theoretically investigated in one- and two-dimensional half-filled extended Hubbard models on regular lattices (i.e., without dimerization)…
The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…
Electron transport properties of few-electron open quantum dots within the spin-restricted Hartree-Fock approximation are studied. The self-consistent numerical calculations were performed for a whole device, including the semi-infinite…
Superdeformed configurations in 32S, and in neighboring nuclei 33S, 31S, 33Cl, and 31P, are determined within the Hartree-Fock approach with the Skyrme interaction. Energies, angular momenta, quadrupole moments, particle-emission Q-values,…
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 $\lambda \phi^4$ model in a finite volume is studied within a non-gaussian Hartree-Fock approximation (tdHF) both at equilibrium and out of equilibrium, with particular attention to the structure of the ground state and of certain…
The spin-dependent localized Hartree-Fock (SLHF) density-functional approach is extended to the treatment of the inner-shell excited-state calculation of open-shell atomic systems. In this approach, the electron spin-orbitals in an…
We present a pedagogical derivation of the Hartree--Fock equations using the second-quantization atomic-orbital density-matrix formalism developed by Kj{\ae}rgaard, J{\o}rgensen, Olsen, Coriani, and Helgaker for AO-based response theory.…
A new alternate method for evaluating linear response theory is formally developed, and results are presented. This method involves the time-evolution of the system using TDHF and is constructed directly on top of a static Hartree-Fock…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression that we were able to decipher. While the form of the…
We provide sufficient conditions such that the time evolution of a mesoscopic tight-binding open system with a local Hartree-Fock non-linearity converges to a self-consistent non-equilibrium steady state, which is independent of the initial…
We study the statistics of quasiparticle and quasihole levels in small interacting disordered systems within the Hartree-Fock approximation. The distribution of the inverse compressibility, given according to Koopmans' theorem by the…
We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…
We use excited-state quantum chemistry techniques to investigate the intraband absorption of doped semiconductor nanoparticles as a function of doping density, nanoparticle radius, and material properties. The excess electrons are modeled…
In this work, we derive the time-dependent Hartree(-Fock) equations as an effective dynamics for fermionic many-particle systems. Our main results are the first for a quantum mechanical mean-field dynamics for fermions; in previous works,…
We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems.…
The magnetic properties of the t-t' Hubbard Model in the two dimensional square lattice are studied within an unrestricted Hartree-Fock approximation in real space. The interplay between antiferromagnetism, ferromagnetism, phase separation…
One of the few exact results for the description of the time-evolution of an inhomogeneous, interacting many-particle system is given by the Harmonic Potential Theorem (HPT). The relevance of this theorem is that it sets a tight constraint…
We study the effect of electronic interactions on the addition spectra and on the energy level distributions of two-dimensional quantum dots with weak disorder using the self-consistent Hartree-Fock approximation for spinless electrons. We…