相关论文: Applicability of self-consistent mean-field theory

A new framework is presented for evaluating the performance of self-consistent field methods in Kohn-Sham density functional theory. The aims of this work are two-fold. First, we explore the properties of Kohn-Sham density functional theory…

We give a universal description of the mesoscopic effects occurring in fractional quantum Hall disks due to the Aharonov-Bohm flux threading the system. The analysis is based on the exact treatment of the flux within the conformal field…

The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…

Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

Despite its widespread use, density functional theory (DFT) has several notable areas of failure; perhaps the most well-studied of these failures is self-interaction error (SIE). Density corrected DFT (DC-DFT) was proposed as a potential…

Building on previous work [N. Read, Phys. Rev. B 58, Z. Dong and T. Senthil, 16262 (1998); Phys. Rev. B 102, 205126 (2020)] on the system of bosons at filling factor $\nu = 1$, we derive the Dirac composite fermion theory for a half-filled…

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…

The formalism of the continuum random-phase approximation theory which treats, without ap- proximations, the continuum part of the single-particle spectrum, is extended to describe charge- exchange excitations. Our approach is…

General properties of perturbed conformal field theory interacting with quantized Liouville gravity are considered in the simplest case of spherical topology. We discuss both short distance and large distance asymptotic of the partition…

It is shown that a minimum realization of the dynamical mean-field theory (DMFT) can be achieved by mapping a correlated lattice model onto an impurity model in which the impurity is coupled to an uncorrelated bath that consists of a single…

Although diagrammatic perturbation theory fails for the dynamical-mean field theory of the double-exchange model, the theory is nevertheless Phi-derivable and hence thermodynamically consistent, meaning that the same thermodynamic…

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…

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…

It is known for quite some time that approximate density functional (ADF) theories fail disastrously when describing the dis-sociative symmetric radical cations R2+. Considering this dissociation limit, previous work has shown that…

In the limit of infinite spatial dimensions a thermodynamically consistent theory of the strongly correlated electron systems, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built. For the Hubbard model the…

Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…

In the last decades multifaceted manifestations of the breakdown of the self-consistent perturbation theory have been identified for the many-electron problem. Yet, the investigations have been so far mostly limited to paramagnetic states,…

We propose an experiment to measure the slow log(N) convergence to mean-field theory (MFT) around a dynamical instability. Using a density matrix formalism, we derive equations of motion which go beyond MFT and provide accurate predictions…

To obtain the basis for combining various many-body techniques to QED in a consistent manner, we investigate the theory of quantum electrodynamical self-consistent fields. The reserch interest was born mainly of the electronic structure…

We demonstrate that the restoration of chiral symmetry at finite-T in a class of confining Dyson-Schwinger equation (DSE) models of QCD is a mean field transition, and that an accurate determination of the critical exponents using the…