Related papers: A coefficient average approximation towards Gutzwi…
To model wave propagation in inhomogeneous media with frequency-dependent power-law attenuation, it is needed to use the fractional powers of symmetric coercive elliptic operators in space and the Caputo tempered fractional derivative in…
We present a method to estimate the quantum Fisher information (QFI) of many-body quantum states in the presence of decoherence, where its direct evaluation requires the full spectral resolution of the density matrix. We show that, for…
The Mott regime with finite $U$ offers a promising platform for exploring novel phases of matter, such as quantum spin liquids (QSL) that exhibit fractionalization and emergent gauge field. Here, we provide a new class wavefunction, dubbed…
Variational wave functions have enabled exceptional scientific breakthroughs related to the understanding of novel phases of matter. Examples include the Bardeen-Cooper-Schrieffer theory of superconductivity, the description of the…
We propose a variational wavefunction containing parameters to tune the probabilities of all the possible onsite configurations for the periodic Anderson model. We call it the full onsite-correlation wavefunction (FOWF). This is a simple…
A non-iterative method is presented to calculate the closest Wannier functions (CWFs) to a given set of localized guiding functions, such as atomic orbitals, hybrid atomic orbitals, and molecular orbitals, based on minimization of a…
We analyze the issue of the interpretation of the wavefunction, namely whether it should be interpreted as describing individual systems or ensembles of identically prepared systems. We propose an experiment which can decide the issue,…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
This work addresses the problem of state estimation in multivariable dynamic systems with quantized outputs, a common scenario in applications involving low-resolution sensors or communication constraints. A novel method is proposed to…
A simple, novel, non-empirical, constraint-based orbital-free generalized gradient approximation (GGA) non-interacting kinetic energy density functional is presented along with illustrative applications. The innovation is adaptation of…
An extended around mean field (AMF) functional for less localized $p$ electrons is developed to quantify the influence of electronic correlations in $\alpha$-Ga. Both the local density approximation (LDA) and generalized gradient…
We present a new nonempirical density functional generalized gradient approximation (GGA) that gives significant improvements for lattice constants, crystal structures, and metal surface energies over the most popular Perdew-Burke-Ernzerhof…
The interaction of a gravitational wave (GW) with an elastic body is usually described in terms of a GW "force" driving the oscillations of the body's normal modes. However, this description is only possible for GW frequencies for which the…
We present a system composed of two flux qubits and a transmission-line resonator. Instead of using the rotating wave approximation (RWA), we analyse the system by the adiabatical approximation methods under two opposite extreme conditions.…
Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In…
A more reasonable trial ground state wave function is constructed for the relative motion of an interacting two-fermion system in a 1D harmonic potential. At the boundaries both the wave function and its first derivative are continuous and…
We have generalized the Gutzwiller method to the cases of n=>2 correlated bands and report studies on a degenerate two-band model with Hund's rule type on-site interactions. At half band filling the metal-insulator transitions are usually…
Certain excitations, especially ones of long-range charge transfer character, are poorly described by time-dependent density functional theory (TDDFT) when typical (semi-)local functionals are used. A proper description of these excitations…
In this first of a series of four articles, it is shown how a hamiltonian quantum dynamics can be formulated based on a generalization of classical probability theory using the notion of quasi-invariant measures on the classical phase space…
We use a spin-rotational invariant Gutzwiller energy functional to compute random-phase-approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). The method can be viewed as an extension of the previously developed…