English

Decay Properties of Spatial Molecular Orbitals

Classical Analysis and ODEs 2024-09-24 v2

Abstract

Using properties of the Fourier transform we prove that if a Hartree-Fock molecular spatial orbital is in L1(R3)L_1(\mathbb{R}^3), then it decays to zero as its argument diverges to infinity. The proof is rigorous, elementary, and short. Our result implies that occupied orbitals with positive eigenvalues will decay to zero provided they are in L1L_1.

Cite

@article{arxiv.2404.14420,
  title  = {Decay Properties of Spatial Molecular Orbitals},
  author = {Richard A Zalik},
  journal= {arXiv preprint arXiv:2404.14420},
  year   = {2024}
}
R2 v1 2026-06-28T16:02:39.810Z