Related papers: The Quantum Energy Density: Improved Efficiency fo…
An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo VMC and DMC energies for various…
The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions and astrophysical phenomena. A recently developed quantum statistical (QS) approach that takes the formation of…
We present full quantum statistical energetics of some electron-light nuclei systems. This is accomplished with the path integral Monte Carlo method. The effects on energetics arising from the change in the nuclear mass are studied. The…
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation…
The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…
Effective quantum cosmology is formulated with a realistic global internal time given by the electric vector potential. New possibilities for the quantum behavior of space-time are found, and the high-density regime is shown to be very…
We first develop a descriptor-based representation of atomic environments by devising two local similarity indices defined from an atom-partitioned quantum-chemical descriptor. Then, we employ this representation to explore the size-,…
A formula to calculate the quantum fluctuations of energy in small subsystems of a hot and relativistic gas is derived. We find an increase in fluctuations for subsystems of small sizes, but we agrees with the energy fluctuations in the…
Quantum batteries are anticipated to achieve significant advancements in energy storage capacity. In classical batteries, the energy density at each subsystem reaches its maximum value, denoted as $E_C$, which is determined by dividing the…
We use the inchworm Quantum Monte Carlo method to investigate the full counting statistics of particle and energy currents in a strongly correlated quantum dot. Our method is used to extract the heat fluctuations and entropy production of a…
In quantum field theory, there exist states in which the expectation value of the energy density for a quantized field is negative. These negative energy densities lead to many problems. Although quantum field theory introduces negative…
Recently, we have suggested some semi-quantitative Hamiltonian for an electron in a hydrogen atom in a weak gravitational field, which takes into account quantum effects of electron motion in the atom. We have shown that this Hamiltonian…
We review the use of continuum quantum Monte Carlo (QMC) methods for the calculation of energy gaps from first principles, and present a broad set of excited-state calculations carried out with the variational and fixed-node diffusion QMC…
We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum many-body systems in continuous Hilbert…
Recent high resolution Compton scattering experiments in lithium have shown significant discrepancies with conventional band theoretical results. We present a pseudopotential quantum Monte Carlo study of electron-electron and electron-ion…
We have calculated the exchange, correlation, and total electronic energy of a realistic InAs self-assembled quantum dot embedded in a GaAs matrix as a function of the number of electrons in the dot. The many-body interactions have been…
In this paper, we solve quantum many-body problem by propagating ensembles of trajectories and guiding waves in physical space. We introduce the 'effective potential' correction within the recently proposed time-dependent quantum Monte…
In the semiclassical quantum gravity derived from the Wheeler-DeWitt equation, the energy density of a matter field loses quantum coherence due to the induced gauge potential from the parametric interaction with gravity in a non-static…
We propose and investigate a procedure to measure, at least in principle, a positive quantum version of the local kinetic energy density. This procedure is based, under certain idealized limits, on the detection rate of photons emitted by…
We propose a theoretical/computational protocol based on the use of the Ground State (GS) Path Integral (PI) Quantum Monte Carlo (QMC) for the calculation of the kinetic and Coulomb energy density for a system of $N$ interacting electrons…