翻译:这些数字的总和是100。 原句:In his summation of the case, the lawyer presented the key evidence. 翻译:在案件的总结陈词中,律师呈现了关键证据。 原句:The summation of forces acting on the object is zero. 翻译:作用在物体上的力的总和为零。 原句:The summation ...
Coulomb forcesIn [3] J. Lekner derived an elegant and very useful summation formula for Coulomb forces. In his derivation he used some powerful identities such as the Poisson-Jacobi identity, the application of which was not at all straightforward. In this note it is shown that Lekner's ...
The proposed method adds a correction term to the standard Ewald summation formula. To test the current method, molecular dynamics simulations on water between Pt(111) walls have been carried out. For a more direct test, the calculation of the pair forces between two point charges has been ...
In this case, M cancels out, and then (1.19) (remarkably) becomes more like a law about accelerations than a law about “forces”. That is, once M cancels out, the force law (1.19) is independent of any properties of the object (planet) whose motion it purports to describe. Thus, ...
Most applications of the Ewald quasi-2D method in computer simulations use precalculated tables of potential energy, forces and second derivatives on a three-dimensional grid and calculations are performed by interpolation of the tables [39, 35, 20]. In ref.[40], Arnold and Holm have shown ...
As usual, we also add a subleading term which enforces exact momentum conservation. The only missing pieces from the resulting DL expansion are thus the n f -dependent contribu- tions which are not enhanced at small N , but these always cancel out when taking the difference between resummed...
In our approach, we replace \(\gamma _+\) with the same function evaluated in \(n_f=0\) plus the \(n_f\) dependence of the LL and NLL contributions only. As usual, we also add a subleading term which enforces exact momentum conservation. The only missing pieces from the resulting...
Formulae are derived for the sums over Coulomb forces exerted on a charged particle by other charged particles, the central cell system being repeated to infinity by periodic boundary conditions. Such sums are needed in molecular dynamics simulations involving either ions or neutral molecules ...
Closed formulae for both real and reciprocal space parts of cutoff errors in the Ewald summation method in cubic periodic boundary conditions are derived. Such estimates are useful in tuning parameters in molecular simulations. Errors in both the electrostatic energy and forces are considered. The ...