Related papers: Mapping exchange in relativistic Hartree-Fock
In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level model subject to generic interactions in Mermin's DFT…
A fully self-consistent renormalized random-phase approximation is constructed based on the self-consistent Hartree-Fock mean field plus exact pairing solutions (EP). This approach exactly conserves the particle number and restores the…
We present, for the first time, a detailed theory of high density matter including the entire baryon octet at finite temperature, based on a fully relativistic mean field model with a consistent treatment of exchange (Fock) terms, using the…
The familiar unrestricted Hartree-Fock variational principle is generalized to include quasi-free states. As we show, these are in one-to-one correspondence with the one-particle density matrices and these, in turn provide a convenient…
We analyzed the Hartree-Fock approximation for an electron system. The interaction between particles is modeled by a non-Coulombian potential. We analyzed both the three-dimensional and two-dimensional systems. We obtained accurate…
Relativistic mean-field models (RMF) based on the exchange of $\sigma$, $\omega$, and $\rho$ mesons including non-linear nucleon-$\sigma$ couplings and density-dependent $\rho$ coupling, are considered. A large set of models is generated…
A shape change of the self-consistent mean-field induced by a configuration change is discussed within the conventional constrained Hartree-Fock (CHF) theory. It is stressed that a single-particle level crossing dynamics should be treated…
We consider the three-dimensional semi-relativistic Hartree model for fast quantum mechanical particles moving in a self-consistent field. Under appropriate assumptions on the initial density matrix as a (fully) mixed quantum state we…
Relationships between general long-range interacting classical systems on a lattice and the corresponding mean-field models (infinitely long-range interacting models) are investigated. We study systems in arbitrary dimension d for periodic…
We study Lagrangian Perturbation Theory (LPT) and its regularization in the Effective Field Theory (EFT) approach. We evaluate the LPT displacement with the same phases as a corresponding $N$-body simulation, which allows us to compare…
The Hartree-Fock exchange operator is an integral operator arising in the Hartree-Fock method and replaced by a multiplicative operator (a local potential) in Kohn-Sham density functional theory. This article presents a detailed analysis of…
Studying the antiferromagnetic phase of the Hubbard model by dynamical mean field theory, we observe striking differences with static (Hartree-Fock) mean field: The Slater band is strongly renormalized and spectral weight is transferred to…
We estimate the prediction sensitivity with respect to Hartree-Fock exchange in approximate density functionals for representative Fe(II) and Fe(III) octahedral complexes. Based on the observation that the range of parameters spanned by the…
We assess the accuracy of finite-temperature mean-field theory using as a standard the Hamiltonian and model space of the shell model Monte Carlo calculations. Two examples are considered: the nucleus $^{162}$Dy, representing a heavy…
The Random Phase Approximation (RPA) is a widely employed post Hartree-Fock or DFT method, capable of capturing van der Waal interactions and other dynamic correlation effects at relatively low costs of $\mathcal O(N^3)$ in time and…
We have performed a thorough computational study to assess the accuracy of density functional theory (DFT) methods in describing the interactions of CO2 with model alkali-earth-metal (AEM, Ca and Li) decorated carbon structures, namely…
The Lagrangian density of relativistic mean-field (RMF) theory with non-linear derivative (NLD) interactions is applied to isospin asymmetric nuclear matter. We study the symmetry energy and the density and energy dependences of nucleon…
Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional…
We present a robust, ab initio method for addressing atom-light interactions and apply it to photoionization of argon. We use a close-coupling ansatz constructed on a multi-configurational Hartree-Fock description of localized states and…
Relativistic effects are investigated in nuclear matter calculations employing renormalized low-momentum nucleon-nucleon ($NN$) interactions. It is demonstrated that the relativistic effects cure a problem of non-relativistic low-momentum…