相关论文: Frozen local hole approximation

Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…

The general procedure underlying Hartree-Fock and Kohn-Sham density functional theory calculations consists in optimizing orbitals for a self-consistent solution of the Roothaan-Hall equations in an iterative process. It is often ignored…

By using the canonical Hamiltonian method, we obtain the mass and entropy of the black holes with general dynamical coupling constant $\lambda$ in Ho\v{r} ava-Lifshitz Gravity. Regardless of whether the horizon is sphere, plane or…

The force-balance equation of time-dependent density-functional theory presents a promising route towards obtaining approximate functionals, however, so far, no practical correlation functionals have been derived this way. In this work,…

A local embedding and effective downfolding scheme has been developed and implemented in the auxiliary-field quantum Monte Carlo (AFQMC) method. A local cluster in which electrons are fully correlated is defined and the frozen orbital…

Following Hollins et al. [J. Phys.: Condens. Matter 29, 04LT01 (2017)], we invert the electronic ground state densities for various semiconducting and insulating solids calculated using several density functional approximations within the…

We extend the capabilities of correlation energy functionals based on the adiabatic-connection fluctuation-dissipation theorem by implementing the analytical atomic forces within the random phase approximation (RPA), in the context of plane…

A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…

We analyze the near horizon conformal symmetry for black hole solutions in gravity with a conformally coupled scalar field using the method proposed by Majhi and Padmanabhan recently. It is shown that the entropy of the black holes of the…

The hybrid Monte Carlo (HMC) algorithm is a ubiquitous method in computational physics with applications ranging from condensed matter to lattice QCD and beyond. However, HMC simulations often suffer from long autocorrelation times,…

Local density approximation (LDA) to the density functional theory (DFT) has continuous derivative of total energy as a number of electrons function and continuous exchange-correlation potential, while in exact DFT both should be…

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

In this paper, our aim is to extend our earlier work [A. K. Ahmed et al., Eur. Phys. J. C (2016) 76:280] thereby investigating an axisymmetric plasma flow with the angular momentum onto a spherical black hole. To accomplish that goal, we…

Federated Learning (FL) is a decentralized machine learning architecture, which leverages a large number of remote devices to learn a joint model with distributed training data. However, the system-heterogeneity is one major challenge in a…

We investigate the Hall effect in two different theoretical models of strongly correlated systems: a system made of weakly coupled Luttinger liquids, in the presence of umklapp scattering, and the 2D triangular lattice, with…

In this paper, we review recent results on the conforming virtual element approximation of polyharmonic and elastodynamics problems. The structure and the content of this review is motivated by three paradigmatic examples of applications:…

In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy of the H2 molecule correctly dissociates. That is, as the…

The pure-quantum self-consistent harmonic approximation, a semiclassical method based on the path-integral formulation of quantum statistical mechanics, is applied to the study of the thermodynamic behaviour of the quantum Heisenberg…

We study the Lie point symmetries and the similarity transformations for the partial differential equations of the nonlinear one-dimensional magnetohydrodynamic system with the Hall term known as HMHD system. For this 1+1 system of partial…

We propose a novel variant of the Localized Orthogonal Decomposition (LOD) method for time-harmonic scattering problems of Helmholtz type with high wavenumber $\kappa$. On a coarse mesh of width $H$, the proposed method identifies local…