Related papers: Geminal wavefunctions with Jastrow correlation: a …
We introduce a "Hamiltonian"-like function, called the volume function, indispensable to describe the ensemble of jammed matter such as granular materials and emulsions from a geometrical point of view. The volume function represents the…
We study the accuracy of analytical wave function based many-body methods derived by energy minimization of a Jastrow-Feenberg ansatz for electrons (`Fermi hypernetted chain / Euler Lagrange' approach). Approximations to avoid the…
For the calculation of the partition function $\mathcal{Z}$ of small, isolated and interacting many body systems an improvement with respect to previous formulations is presented. By including anharmonicities and employing a variational…
Multiband effects can lead to fundamentally different electronic behavior of solids, as exemplified by the possible emergence of Fermi surfaces of Bogoliubov quasiparticles in centrosymmetric superconductors which break time-reversal…
A wave near an isolated turning point is typically assumed to have an Airy function profile with respect to the separation distance. This description is incomplete, however, and is insufficient to describe the behavior of more realistic…
An asymptotic theory is developed to generate equations that model the global behaviour of electromagnetic waves in periodic photonic structures when the wavelength is not necessarily long relative to the periodic cell dimensions;…
The possibility of describing quantum mechanical particles on a plane by a Jastrow wave function is studied. We obtain the condition under which the particles interact through pair potentials. It is found that if the interparticle forces…
Quantum Monte Carlo methods have proven to predict atomic and bulk properties of light and non-light elements with high accuracy. Here we report on the first variational quantum Monte Carlo (VMC) calculations for solid surfaces. Taking the…
Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the…
We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of…
An asymptotic restoration procedure is applied for analyzing bound--state overlap functions, separation energies and single--nucleon spectroscopic factors by means of a model one--body density matrix emerging from the Jastrow correlation…
Gravitational wave (GW) astronomy has consolidated its role as a new observational window to reveal the properties of compact binaries in the Universe. In particular, the discovery of the first binary neutron star coalescence, GW170817, led…
Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and improved theoretical understanding of properties unique to…
In this paper we analyze a recently proposed approach for the construction of antisymmetric functions for atomic and molecular systems. It is based on the assumption that the main problems with Hartree-Fock wavefunctions stem from their…
An interesting question in physics is how the correlation energy of atoms evolves upon forming a solid. Here, we address this problem for a specific case of double-layer FeSe. We used many-body wavefunction-based quantum Monte Carlo (QMC)…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…
Previous work has developed the theory of linearized gravitational wave (GW) interactions with matter using the Bondi-Sachs formalism, but with the perturbations restricted to be quadrupolar, i.e., the angular dependence is spherical…
Modern quantum Monte Carlo (QMC) methods often capture electron correlation through both explicitly correlating Jastrow factors and small to mid-sized configuration interaction (CI) expansions. Here, we study the additional optimization…
The nodal surfaces of the many-body wavefunction are fundamental geometric features that encode critical information regarding particle statistics and their interaction. Directly probing these structures, particularly in correlated quantum…
The spectral triple approach to noncommutative geometry allows one to develop the entire standard model (and supersymmetric extensions) of particle physics from a purely geometry stand point and thus treats both gravity and particle physics…