Properties of numerical approximation methods

for Slater determinant orbitals in QMC

Polynomial order 3
Approximant form Lagrange pp-spline B-spline
Continuity C0 C2 C2
Approximant quality Interpolates Interpolates Approximates
Sampling grid storage size (for φ, ∇φ ∇2φ)
[n = number of points per dimension]
5n3 8n3 n3
Nadd (in 3D, φ only) 42 72 93
Nmultiply (in 3D, φ only) 57 140 150
Nadd (in 3D, φ, ∇φ ∇2φ) 235 670 374
Nmultiply (in 3D, φ, ∇φ ∇2φ) 285 1053 548

Slater Determinant Orbital Approximation main page

William Parker
Department of Physics
the Ohio State University
Created by: wparker at mps dot ohio dash state dot edu
Last Modified: November 27, 2006

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