相关论文: Angular Momentum Projected Configuration Interacti…

This paper proposes to apply the Ultra-Relativistic Quantum Molecular Dynamic (UrQMD) approach to implement the PANDA project (GSI). Modeling of $\bar{p}$A-interactions has been performed at antiproton energies from 1 GeV to 200 GeV by…

We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…

We present the first calculations of a symmetry conserving configuration mixing method (SCCM) using time-reversal symmetry breaking Hartree-Fock-Bogoliubov (HFB) states with the Gogny D1S interaction. The method includes particle number and…

Humanoid robots have great potential for real-world applications due to their ability to operate in environments built for humans, but their deployment is hindered by the challenge of controlling their underlying high-dimensional nonlinear…

Coupled angular momentum eigenstates are widely used in atomic and nuclear physics calculations, and are building blocks for spin networks and the Schur transform. To combine two angular momenta $\mathbf{J}_1$ and $\mathbf{J}_2$, forming…

The recently proposed many-body expanded full configuration interaction (MBE-FCI) method is extended to excited states and static first-order properties different from total, ground state correlation energies. Results are presented for…

The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often…

A self-consistent, non-perturbative scheme of approximation is proposed for arbitrary interacting quantum systems by generalization of the Hartree method.The scheme consists in approximating the original interaction term $\lambda H_I$ by a…

Model space quantum Monte Carlo (MSQMC) is an extension of full configuration interaction QMC (FCIQMC) that allows us to calculate quasi-degenerate and excited electronic states by sampling the effective Hamiltonian in the model space. We…

A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…

The angular momentum projection (AMP) method is implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) with the point-coupling density functional. The wave functions of angular momentum projected states are…

We report no-core solutions for properties of light nuclei with three different approaches in order to assess the accuracy and convergence rates of each method. Full configuration interaction (FCI), Monte Carlo shell model (MCSM) and no…

A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…

Peridynamics (PD) is a non-local continuum formulation. The original version of PD was restricted to bond-based interactions. Bond-based PD is geometrically exact and its kinematics are similar to classical continuum mechanics (CCM).…

Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow…

This paper presents a novel model predictive control (MPC) formulation for set-point tracking. Stabilizing predictive controllers based on terminal ingredients may exhibit stability and feasibility issues in the event of a reference change…

Vibrational heat-bath configuration interaction (VHCI) -- a selected configuration interaction technique for vibrational structure theory -- has recently been developed in two independent works [J. Chem. Phys. 154, 074104 (2021); Mol. Phys.…

We present a contact-implicit planning approach that can generate contact-interaction trajectories for non-prehensile manipulation problems without tuning or a tailored initial guess and with high success rates. This is achieved by…

Fluid-Structure Interaction (FSI) can be investigated by means of non-linear Finite Element Models (FEM), suitable to capture large deflections of structural parts interacting with fluids, and Computational Fluid Dynamics (CFD). High…