Related papers: Variational Wavefunction for the Periodic Anderson…
This paper presents a novel approach for implementing frequency-dependent hydrodynamic coefficients in Morison's equation, which is widely used in hydrodynamics modeling. Accurate hydrodynamic predictions using Morison's equation…
The two dimensional Hubbard model in the presence of diagonal and off-diagonal disorder is studied at half filling with a finite temperature quantum Monte Carlo method. Magnetic correlations as well as the electronic compressibility are…
Seismic waves bring information from the physical properties of the earth to the surface. Full waveform inversion (FWI) is a local optimization technique which tries to invert the recorded wave fields to the physical properties. An…
We introduce variational wave functions to evaluate the ground-state properties of spin-phonon coupled systems described by the Su-Schrieffer-Heeger model. Quantum spins and phonons are treated on equal footing within a Monte Carlo…
We design a neural network Ansatz for variationally finding the ground-state wave function of the Homogeneous Electron Gas, a fundamental model in the physics of extended systems of interacting fermions. We study the spin-polarised and…
Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-interaction density-functional corrections, are severely affected…
We propose a class of variational Gaussian wavefunctions to describe Fr\"ohlich polarons at finite momenta. Our wavefunctions give polaron energies that are in excellent agreement with the existing Monte Carlo results for a broad range of…
We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…
Conventional Full Waveform Inversion requires calculating the objective function to be minimized and construction a gradient using the whole property model, when is often the case where geoscientist are only interested in a local region. In…
We construct model wavefunctions for the collective modes of fractional quantum Hall systems. The wavefunctions are expressed in terms of symmetric polynomials characterized by a root partition and a "squeezed" basis, and show excellent…
A nonzero-temperature technique for strongly correlated electron lattice systems, combining elements of both variational wave function (VWF) approach and expansion in the inverse number of fermionic flavors ($1/\mathcal{N}_f$), is…
The adaptive non-harmonic (ANH) model is a powerful tool to compactly represent oscillating signals with time-varying amplitude and phase, and non-sinusoidal oscillating morphology. Given good estimators of instantaneous amplitude and phase…
We have derived and implemented a stress tensor formulation for the van derWaals density functional (vdW-DF) with spin-polarization-dependent gradient correction (GC) recently proposed by the authors [J. Phys. Soc. Jpn. 82, 093701 (2013)]…
The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…
We perform the energy minimization of the paired composite fermion (CF) wave functions, proposed by M\"oller and Simon (MS) [PRB 77, 075319 (2008)] and extended by Yutushui and Mross (YM) [PRB 102, 195153 (2020)], where the energy is…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
Using a linear combination of atomic orbitals approach, we report a systematic comparison of various Density Functional Theory (DFT) and hybrid exchange-correlation functionals for the prediction of the electronic and structural properties…
Diagrammatic theory for Periodic Anderson Model has been developed, supposing the Coulomb repulsion of $f-$ localized electrons as a main parameter of the theory. $f-$ electrons are strongly correlated and $c-$ conduction electrons are…
The intermolecular potential plays crucial roles in real-fluid interactions away from the ideal-gas equilibrium, such as supercritical fluid, high-enthalpy fluid, plasma interactions, etc. We propose a Boltzmann-weighted Full-dimensional…
The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single site limit, at half-filling, the electron-phonon coupling results in a double well structure for the lattice…