中文

Electron Wavefunctions and Densities for Atoms

偏微分方程分析 2009-10-31 v1 数学物理 math.MP

摘要

With a special `Ansatz' we analyse the regularity properties of atomic electron wavefunctions and electron densities. In particular we prove an a priori estimate, supyB(x,R)ψ(y)C(R)supyB(x,2R)ψ(y)\sup_{y\in B(x,R)}|\nabla\psi(y)| \leq C(R) \sup_{y\in B(x,2R)}|\psi(y)| and obtain for the spherically averaged electron density, ρ~(r)\widetilde\rho(r), that ρ~(0)\widetilde\rho''(0) exists and is non-negative.

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引用

@article{arxiv.math/0005018,
  title  = {Electron Wavefunctions and Densities for Atoms},
  author = {Maria Hoffmann-Ostenhof and Thomas Hoffmann-Ostenhof and Thomas Østergaard Sørensen},
  journal= {arXiv preprint arXiv:math/0005018},
  year   = {2009}
}