相关论文: Shifted forces in molecular dynamics
Designs for magnetic springs of two types have been proposed, and the methods of calculation of their retracting forces have been developed. Formulas are obtained for the retracting force in the main section of spring force characteristics.…
The first lattice QCD result on the nuclear force (the NN potential) is presented in the quenched level. The standard Wilson gauge action and the standard Wilson quark action are employed on the lattice of the size 16^3\times 24 with the…
Evaluating the log-sum-exp function or the softmax function is a key step in many modern data science algorithms, notably in inference and classification. Because of the exponentials that these functions contain, the evaluation is prone to…
The Casimir force between two conducting planes is considered in both the electromagnetic and scalar field cases. This is done by the usual summation over energy eigenmodes of the system as well as by a calculation of the stress tensor in…
The truncation of a pair potential at a distance r_cut is well-known to imply in general an impulsive correction to the pressure and other moments of the first derivatives of the potential. That depending on r_cut the truncation may also be…
We present an alternative to reweighting techniques for modifying distributions to account for a desired change in an underlying conditional distribution, as is often needed to correct for mis-modelling in a simulated sample. We employ…
The charm-quark mass is typically not so far from the cutoff 1/a in lattice simulations. Its determinant may then potentially introduce large cutoff effects. We choose the O(a)-improved Wilson formulation and compute the vacuum polarization…
A novel analytically solvable deformed Woods-Saxon potential is investigated by means of the Supersymmetric Quantum Mechanics. Hamiltonian hierarchy method and the shape invariance property are used in the calculations. The energy levels…
We introduce new semilocal two-nucleon potentials up to fifth order in the chiral expansion. We employ a simple regularization approach for the pion-exchange contributions which (i) maintains the long-range part of the interaction, (ii) is…
In principle, the answer to the posed titular question is undoubtedly 'yes.' But in practice, requisite reference data for homogeneous systems have been obtained with a treatment of intermolecular interactions that is different from that…
We present a calculation of cut-off effects at tree-level of perturbation theory for the K and D mesons using the twisted mass formulation of lattice QCD. The analytical calculations are performed in the time-momentum frame. The relative…
We investigate the cutoff effects in 2-d lattice O(N) models for a variety of lattice actions, and we identify a class of very simple actions for which the lattice artifacts are extremely small. One action agrees with the standard action,…
The 3N forces due to pi-rho, pi-sigma and pi-omega exchanges following from the nucleon Born diagrams and diagrams with an intermediate N^{*}(1440) are re-analyzed. The cancellation between pi-sigma and pi-omega forces is rather sensitive…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
Shifted combinatorial optimization is a new nonlinear optimization framework, which is a broad extension of standard combinatorial optimization, involving the choice of several feasible solutions at a time. It captures well studied and…
Recent variational calculations of the deuteron and the triton illustrate that simple wave function ansatze become more effective after evolving the nucleon-nucleon potential to lower momentum (``V_lowk''). However, wave function artifacts…
Low momentum two-nucleon interactions obtained with the renormalization group method and the similarity renormalization group method are used to study the cutoff dependence of low energy 3N and 4N scattering observables. The residual cutoff…
We have presented some practical consequences on the molecular-dynamics simulations arising from the numerical algorithm published recently in paper Int. J. Mod. Phys. C 16, 413 (2005). The algorithm is not a finite-difference method and…
The use of high-precision measurements of the $g$ factor of single-electron ions is considered as a detailed probe for physics beyond the Standard Model. The contribution of the exchange of a hypothetical force-carrying scalar boson to the…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…