Describe fractional coordinates and scattering parameters of the basis atomsname
Rietveld analysis of the PbSO 4 X-ray powder diffraction data provided atomic coordinates and isotropic displacement parameters for the Pb and S atoms that... RJ Hill - 《Journal of Applied Crystallography》 被引量: 72发表: 2010年 Atomic modeling of cryo-electron microscopy reconstructions--joint...
within tolerance of each other. The algorithm will reject this lattice. Args: tolerance: Tolerance for each coordinate of a particular site. For example, [0.5, 0, 0.5] in cartesian coordinates will be considered to be on the same coordinates as [0, 0, 0] for a tolerance of 0.5. Defau...
This symmetry is the combination of charge conjugation and parity symmetry. CP symmetry is a transformation of particles into antiparticles with the inversion of spatial coordinates. From the definitions of the charge conjugation and parity symmetries, one can write, CPH(k)(CP)−1 = −H(−...
Simultaneous optimization of atomic coordinates and existence variables is demonstrated on copper clusters of varying size. The existence variables are shown to speed up the global optimization of large and particularly difficult-to-optimize clusters.Larsen, Casper...
particle coordinates scaling/ A3115 General mathematical and computational developments for atoms and molecules A3410 General theories and models (atomic and molecular collision processes)One defining characteristic of the fast multipole calculation is the number of tiers (depth of tree) used to group ...
The presence of a fractional time derivative is interpreted as a special property of this process, called memory or heredity [17]. Fractional derivatives with coordinates reflect a medium with inhomogeneities of a special kind, referred to as being self-similar, or as fractals. Such structures ...
Here and below, it is assumed that ℏ=2𝑚=1ℏ=2m=1, and the dimensionless time variables 𝜏=𝑡/𝑡0τ=t/t0 and coordinates 𝑠=𝑟/𝑟0s=r/r0 are used, while 𝑡0t0 and 𝑟0r0 are some characteristic time- and length-scales of the system, respectively. ∇𝜈𝑥...
In these coordinates, the map (4.26) given from t ¯ = e i θ 0 t + < g , H ( t h + t ¯ h ¯ + l ) > l ¯ = S l + H ( t h + t ¯ h ¯ + l ) − < g , H ( t h + t ¯ h ¯ + l ) > h − < g ¯ , H ( t h + t ¯...
In spherical coordinates, the equation of isotropic hereditary diffusion has the form ∂𝜌∂𝑡=𝐷𝒢̂𝑡[∂2𝜌∂𝑟2+2𝑟∂𝜌∂𝑟].∂ρ∂t=DG^t∂2ρ∂r2+2r∂ρ∂r. (33) Further we apply the “slowly moving boundary” approximation. It is valid, ...