Related papers: Local Volume Effects in the Generalized Pseudopote…
According to general relativity theory (GRT), by comparing the frequencies between two precise clocks at two different stations, the gravity potential (geopotential) difference between the two stations can be determined due to the gravity…
We extend the recently proposed thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] to generalized-gradient approximation (GGA) exchange-correlation density functionals. Relative…
We obtain a form of the local thermodynamic equilibrium density operator which is invariant under pseudo-gauge transformations of the stress-energy and the spin tensors. This operator is an excellent candidate to describe the dynamics of a…
The experimental demonstration that neutrons can reside in gravitational quantum stationary states formed in the gravitational field of the Earth indicates a need to examine in more detail the general theoretical properties of gravitational…
For orbital-free {\it ab initio} molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient approximation (GGA) functional for the non-interacting free…
A ubiquitous approach to obtain transferable machine learning-based models of potential energy surfaces for atomistic systems is to decompose the total energy into a sum of local atom-centred contributions. However, in many systems…
Several alternative approaches to quantum gravity problem suggest the modification of the {\it fundamental volume $\omega_{0}$} of the accessible phase space for representative points. This modified fundamental volume has a novel momentum…
Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…
We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP…
Previous work [SciPost Phys. 14, 129 (2023)] has demonstrated that quantum simulation of abelian lattice gauge theories (Wegner models including the toric code in a limit) in general dimensions can be achieved by local adaptive measurements…
In the present contribution, a preliminary analysis of the effects of the Generalized Uncertainty Principle (GUP) with a minimum length, in the context of compact stars, is performed. On basis of a deformed Poisson canonical algebra with a…
The Generalized Eigenvalue Problem (GEVP) has been used extensively in the past in order to reliably extract energy levels from time-dependent Euclidean correlators calculated in Lattice QCD. We propose a formulation of the GEVP in…
Gaussian process regression has recently emerged as a powerful, system-agnostic tool for building global potential energy surfaces (PES) of polyatomic molecules. While the accuracy of GP models of PES increases with the number of potential…
We introduce a quantity, called pseudo entropy, as a generalization of entanglement entropy via post-selection. In the AdS/CFT correspondence, this quantity is dual to areas of minimal area surfaces in time-dependent Euclidean spaces which…
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…
We review highlights from string theory, black hole physics and doubly special relativity and some "thought" experiments which were suggested to probe the shortest distance and/or the maximum momentum at the Planck scale. The models which…
We prove that generic quantum local Hamiltonians are gapless. In fact, we prove that there is a continuous density of states above the ground state. The Hamiltonian can be on a lattice in any spatial dimension or on a graph with a bounded…
We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…
Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a local hybrid method derived from the optimized effective…
Various approaches to quantum gravity suggest that the fundamental volume of the phase space of the given space for representative points, means !0, should be modified. In this paper, we study the effects of this modification on the…