相关论文: Symmetry conserving configuration mixing method wi…
Relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations with configuration interaction (CI) are carried out for the $^{1}S_{0}$ and $^{3}P_{0,1}^o$ states in neutral ytterbium by use of the available GRASP2018 package. From…
The conformational kinetics of enzymes can be reliably revealed when they are governed by Markovian dynamics. Hidden Markov Models (HMMs) are appropriate especially in the case of conformational states that are hardly distinguishable.…
We present a relativistic mean-field model that incorporates charge symmetry breaking (CSB) of nuclear force via $ \omega $-$ \rho^0 $ meson mixing, along with corrections to the electromagnetic interaction including the nucleon form…
We introduce a holographic framework for analyzing the steady states of repeated quantum channels with strong symmetries. Using channel-state duality, we show that the steady state of a $d$-dimensional quantum channel is holographically…
Synchronous generator system is a complicated dynamical system for energy transmission, which plays an important role in modern industrial production. In this article, we propose some predictor-corrector methods and structure-preserving…
We study the inverse problem of tuning interaction parameters between charged colloidal particles interacting with a hard-core repulsive Yukawa potential, so that they assemble into specified crystal structures. Here, we target the…
In this work, a doubly resonant photonic crystal (PhC) cavity using the merged bound states in the continuum (BICs) is proposed to obtain a higher second harmonic generation (SHG) efficiency. Firstly by scanning geometry parameters the…
We assess the validity of a single step Godunov scheme for the solution of the magneto-hydrodynamics equations in more than one dimension. The scheme is second-order accurate and the temporal discretization is based on the dimensionally…
We propose a new explicit pseudo-energy and momentum conserving scheme for the time integration of Hamiltonian systems. The scheme, which is formally second-order accurate, is based on two key ideas: the integration during the time-steps of…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
We present here two irreversible Markov chain Monte Carlo algorithms for general discrete state systems, one of the algorithms is based on the random-scan Gibbs sampler for discrete states and the other on its improved version, the…
Presence of a high-dimensional stochastic parameter space with discontinuities poses major computational challenges in analyzing and quantifying the effects of the uncertainties in a physical system. In this paper, we propose a stochastic…
Static self-consistent methods usually allow to determine the most probable fission fragments mass asymmetry. We have applied random neck rupture mechanism to the nuclei in the configuration at the end of fission paths. Fission fragment…
Selfconsistent Hartree-Fock-Bogoliubov (HFB) calculations have been performed with the Gogny force for nuclei along several constant Z and constant N chains, with the purpose of extracting the macroscopic part of the binding energy using…
We present the first systematic calculations based on the angular-momentum projection of cranked Slater determinants. We propose the Iy --> I scheme, by which one projects the angular momentum I from the 1D cranked state constrained to the…
In simulations of partial differential equations using particle-in-cell (PIC) methods, it is often advantageous to resample the particle distribution function to increase simulation accuracy, reduce compute cost, and/or avoid numerical…
We describe the program HFBTHO for axially deformed configurational Hartree-Fock-Bogoliubov calculations with Skyrme-forces and zero-range pairing interaction using Harmonic-Oscillator and/or Transformed Harmonic-Oscillator states. The…
The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…
We propose an efficient deterministic method to calculate the full configuration interaction (FCI) ground state energy. This method leverages the sparseness of the Lanczos basis vectors that span the Krylov subspace associated with the…
Computational modeling of assembly is challenging for many systems because their timescales vastly exceed those accessible to simulations. This article describes the MultiMSM, which is a general framework that uses Markov state models…