相关论文: Use of the Discrete Variable Representation Basis …

Dynamic nuclear polarization (DNP) is used in nuclear magnetic resonance (NMR) to transfer polarization from electron spins to nuclear spins. The resulting nuclear polarization enhancement can, in theory, be two or three orders of magnitude…

The success of non-relativistic quantum dynamics in accounting for the binding energies and spectra of light nuclei with masses up to A=10 raises the question whether the same dynamics applied to infinite nuclear matter agrees with the…

We implement several non-binary logic systems using the spin dynamics of nuclear spins in nuclear magnetic resonance (NMR). The NMR system is a suitable test system because of its high degree of experimental control; findings from NMR…

Simple generic aspects of nuclear pairing in homogeneous medium as well as in finite nuclei are discussed. It is argued that low-energy nuclear structure is not sensitive enough to resolve fine details of nuclear nucleon-nucleon (NN)…

The properties of asymmetric nuclear matter have been investigated in a relativistic Dirac-Brueckner-Hartree-Fock framework using the Bonn A potential. The components of the self-energies are extracted by projecting on Lorentz invariant…

Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…

How does subatomic matter organize itself? Neutron stars are cosmic laboratories uniquely poised to answer this fundamental question that lies at the heart of nuclear science. Newly commissioned rare isotope facilities, telescopes operating…

A new scheme to study the properties of finite nuclei is proposed based on the Dirac-Brueckner-Hartree-Fock (DBHF) approach starting from a bare nucleon-nucleon interaction. The relativistic structure of the nucleon self-energies in nuclear…

Reduced magnetohydrodynamics is a simplified set of magnetohydrodynamics equations with applications to both fusion and astrophysical plasmas, possessing a noncanonical Hamiltonian structure and consequently a number of conserved…

Direct methods for the simulation of optimal control problems apply a specific discretization to the dynamics of the problem, and the discrete adjoint method is suitable to calculate corresponding conditions to approximate an optimal…

Dynamical nuclear polarisation (DNP) is an important technique that uses polarisation transfer from electron to nuclear spins to achieve nuclear hyperpolarisation. As the electron spin of the nitrogen vacancy (NV) centres in diamond can be…

We give an introduction to discrete functional analysis techniques for stationary and transient diffusion equations. We show how these techniques are used to establish the convergence of various numerical schemes without assuming…

This paper develops numerical methods for optimal control of mechanical systems in the Lagrangian setting. It extends the theory of discrete mechanics to enable the solutions of optimal control problems through the discretization of…

Discrete variational methods show excellent performance in numerical simulations of mechanical systems. In this paper, we adapt discrete variational integrators for the case of mechanical systems with double-bracket dissipation. In…

In this article we describe applications of the numerical method of discrete differential forms in computational GR. In particular we consider the initial value problem for vacuum space-times that admit plane gravitational waves. As…

Quantum computing with discrete variable (DV, qubit) hardware is approaching the large scales necessary for computations beyond the reach of classical computers. However, important use cases such as quantum simulations of physical models…

We investigate the application of the Sturmian basis set in relativistic atomic structure calculations. We propose a simple implementation of this approach and demonstrate its ability to provide various quantities for hydrogen-like ions,…

We review some recently published methods to represent atomic neighbourhood environments, and analyse their relative merits in terms of their faithfulness and suitability for fitting potential energy surfaces. The crucial properties that…

In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…

Minimization of the $\ell_{\infty}$ (or maximum) norm subject to a constraint that imposes consistency to an underdetermined system of linear equations finds use in a large number of practical applications, including vector quantization,…