Related papers: Modified self-consistent harmonic approximation an…
Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…
We describe a Fourier Accelerated Hybrid Monte Carlo algorithm suitable for dynamical fermion simulations of non-gauge models. We test the algorithm in supersymmetric quantum mechanics viewed as a one-dimensional Euclidean lattice field…
Machine learning and deep learning have revolutionized computational physics, particularly the simulation of complex systems. Equivariance is essential for simulating physical systems because it imposes a strong inductive bias on the…
Characterizing and understanding the environment affecting quantum systems is critical to elucidate its physical properties and engineer better quantum devices. We develop an approach to reduce the quantum environment causing single-qubit…
The Chern-Simons approach has been widely used to explain fractional quantum Hall states in the framework of trial wave functions. In the present paper, we generalise the concept of Chern-Simons transformations to systems with any number of…
The Schr\"{o}dinger equation and ladder operators for the harmonic oscillator are shown to simplify through the use of an isometric conformal transformation. These results are discussed in relation to the Bargmann representation. It is…
We present the first correlated-electron theory of metamagnetism in strongly anisotropic antiferromagnets. Quantum-Monte-Carlo techniques are used to calculate the field vs. temperature phase diagram of the infinite-dimensional Hubbard…
We develop a numerical model that reproduces the thermal equilibrium and the spin transfer mechanisms in magnetic nanomaterials. We analyze the coherent two-particle spin exchange interaction and the electron-electron collisions. Our study…
An approximation method which combines the perturbation theory with the variational calculation is constructed for quantum mechanical problems. Using the anharmonic oscillator and the He atom as examples, we show that the present method…
Assuming the spin-independence for confining force, we give a covariant quark representation of general composite meson systems with definite Lorentz transformation properties. For benefit of this representation we are able to deduce…
We study atom-ion scattering in the ultracold regime. To this aim, an analytical model based on the multichannel quantum defect formalism is developed and compared to close-coupled numerical calculations. We investigate the occurrence of…
We develop approximation methods in the hybrid quantization of the Gowdy model with linear polarization and a massless scalar field, for the case of three-torus spatial topology. The loop quantization of the homogeneous gravitational sector…
In this paper, we propose a variationally consistent technique for decreasing the maximum eigenfrequencies of structural dynamics related finite element formulations. Our approach is based on adding a symmetric positive-definite term to the…
A simple, general and practically exact method is developed for the equilibrium properties of the macroscopic physical systems with translational symmetry. Applied to the Ising model in two and three dimension, a modest calculation gives…
A new method for examining the possible space-time variation of the fine structure constant ($\alpha$) is proposed. The technique uses a relatively simple measurement with an optical resonator to compare atom-stabilized optical frequency…
Harmonic calculations based on density-functional theory are generally the method of choice for the description of phonon spectra of metals and insulators. The inclusion of anharmonic effects is, however, delicate as it relies on…
Previous works have controversially claimed near-room temperature ferromagnetism in two-dimensional (2D) VSe$_2$, with conflicting results throughout the literature. These discrepancies in magnetic properties between both phases (T and H…
The classical XXZ triangular-lattice antiferromagnet (TAF) shows both an Ising and a BKT transition, related to the chirality and the in-plane spin components, respectively. In this paper the quantum effects on the thermodynamic quantities…
Recent microwave experiments demonstrate the anapole-moment and magnetoelectric properties in quasi-2D ferrite particles with magnetic-dipolar-wave oscillating spectra. The theory developed in this paper shows that there are the…
We present a multigrid algorithm for self consistent solution of the Kohn-Sham equations in real space. The entire problem is discretized on a real space mesh with a high order finite difference representation. The resulting self consistent…