相关论文: Variational Wavefunction for the Periodic Anderson…
The wave function at the origin (WFO) is an important quantity in studying many physical problems concerning heavy quarkonia. However, when one used the variational method with fewer parameters, in general, the deviation of resultant WFO…
We suggest an appealing strategy to probe a large class of scenarios beyond the Standard Model simultaneously explaining the recent CDF II measurement of the $W$ boson mass and predicting first-order phase transitions (FOPT) testable in…
We examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency $\omega_0 \ll U/2$, the onsite Coulomb…
A continuum approach to study magnetoelectric multiferroic $\mathrm{BiFeO}_3$ (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations in order to describe the entire…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…
This work assesses the performance of the recently proposed global natural orbital functional (GNOF) against the charge delocalization error. GNOF provides a good balance between static and dynamic electronic correlation leading to accurate…
In this contribution we would like to revisit the problems of ferromagnetism (F) and antiferromagnetism (AF) in the pure itinerant model. These methods can be extended later to the superconducting materials. In our model we assume the…
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band…
Maximally-localized Wannier functions (MLWFs) are widely employed as an essential tool for calculating the physical properties of materials due to their localized nature and computational efficiency. Projectability-disentangled Wannier…
The extent of ion pairing in solution is an important phenomenon to rationalise transport and thermodynamic properties of electrolytes. A fundamental measure of this pairing is the potential of mean force (PMF) between solvated ions. The…
We study Anderson localization of single particles in continuous, correlated, one-dimensional disordered potentials. We show that tailored correlations can completely change the energy-dependence of the localization length. By considering…
We propose an improved scheme to construct many-body trial wave functions for fractional Chern insulators (FCI), using one-dimensional localized Wannier basis. The procedure borrows from the original scheme on a continuum cylinder, but is…
We developed a model for the pion light-front wave function (LFWF) that incorporates valence, sea and gluon degrees of freedom. Using the LFWF overlap representation, we derived parametrizations for the pion parton distribution functions…
We present a variational function that targets excited states directly based on their position in the energy spectrum, along with a Monte Carlo method for its evaluation and minimization whose cost scales polynomially for a wide class of…
We investigate the role of electron-electron and electron-phonon interactions in strongly correlated systems by performing unbiased quantum Monte Carlo simulations in the square lattice Hubbard-Holstein model at half-filling. We study the…
In this paper we study the effect of positional randomness on transmissional properties of a two dimensional photonic crystal as a function of a randomness parameter $\alpha$ ($\alpha=0$ completely ordered, $\alpha=1$ completely…
The Exact Factorization (XF) of molecular wavefunctions can be viewed as an 'electronic wavepacket' framework for quantum dynamics. It is an appealing alternative to the conventional non-adiabatic dynamics, unfolding in the space of coupled…
In this paper, we present a novel approach that can exactly recover extended targets in wave-based multistatic interferometric imaging, based on Generalized Wirtinger Flow (GWF) theory [1]. Interferometric imaging is a generalization of…
We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the dependence can be significant, in particular in the case of 3d…
Tight-binding Hamiltonians with single and multiple orbitals exhibit an intriguing array of magnetic phase transitions. In most cases the spin ordered phases are insulating, while the disordered phases may be either metallic or insulating.…