相关论文: Frozen local hole approximation
The local-density approximation (LDA), together with the half-occupation (transition state) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite…
The suitability of a double Havriliak-Negami (HN) approximant to represent the Fourier Transform of the time derivative of Kohlrausch-Williams-Watts function, -\psi_{\beta}, has been discussed in the first part of this work. There, it is…
The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperature dependent observables. Nonetheless, the QHA is often…
Self-localization of holes in the Holstein t-J model is studied in the adiabatic limit using exact diagonalization and the retraceable path approximation. It is shown that the critical electron-phonon coupling \lambda_c decreases with…
The purpose of this work is to generalize the frozen Gaussian approximation (FGA) theory to solve the 3-D elastic wave equation and use it as the forward modeling tool for seismic tomography with high-frequency data. FGA has been previously…
We develop a refined Frozen Gaussian approximation (FGA) for the fractional Schr\"odinger equation in the semi-classical regime, where the solution exhibits rapid oscillations as the scaled Planck constant $\varepsilon$ becomes small. Our…
The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…
The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is…
We present a systematic hierarchy of approximations for {\it local} exact-decoupling of four-component quantum chemical Hamiltonians based on the Dirac equation. Our ansatz reaches beyond the trivial local approximation that is based on a…
We study the structural effects produced by the quantization of vibrational degrees of freedom in periodic crystals at zero temperature. To this end we introduce a methodology based on mapping a suitable subspace of the vibrational manifold…
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…
We study black hole solutions of $D=4$ Einstein-Maxwell theory coupled to a charged scalar field that are holographically dual to a $d=3$ conformal field theory with a non-vanishing chemical potential and constant magnetic field. We…
Much research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians with Hamming symmetric potentials, such as the well studied "spike" example. Due to the large amount of symmetry in these potentials such problems…
We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…
Federated Learning (FL) involves training a model over a dataset distributed among clients, with the constraint that each client's dataset is localized and possibly heterogeneous. In FL, small and noisy datasets are common, highlighting the…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…
The ground state energy and the free energy of Quantum Local Hamiltonians are fundamental quantities in quantum many-body physics, however, it is QMA-Hard to estimate them in general. In this paper, we develop new techniques to find…
We investigate three different local approximations for nonlinear gravitational instability in the framework of cosmological Lagrangian fluid dynamics of cold dust. They include the Zel'dovich approximation (ZA), the ``non-magnetic''…
A two-orbital two-electron diatomic model resembling LiH is used to investigate the differences between the exact L\"owdin-Shull and approximate Hartree-Fock-Bogoliubov and Baerends-Buijse density matrix functionals in the medium- to…
We present approximate analytical solutions to the Hamiltonian and momentum constraint equations, corresponding to systems composed of two black holes with arbitrary linear and angular momentum. The analytical nature of these initial data…