English

Explicit Spin Coordinates

Quantum Physics 2007-05-23 v1

Abstract

The recently established existence of spherical harmonic functions, Ym(θ,ϕ)Y_\ell^{m}(\theta,\phi) for half-odd-integer values of \ell and mm, allows for the introduction into quantum chemistry of explicit electron spin-coordinates; i.e. spherical polar angles θs,ϕs\theta_s, \phi_s, that specify the orientation of the spin angular momentum vector in space. In this coordinate representation the spin angular momentum operators, S2,SzS^2, S_z, are represented by the usual differential operators in spherical polar coordinates (commonly used for L2,LzL^2, L_z), and their electron-spin eigenfunctions are sinθsexp(±ϕs/2)\sqrt{\sin\theta_s} \exp(\pm\phi_s/2). This eigenfunction representation has the pedagogical advantage over the abstract spin eigenfunctions, α,β,\alpha, \beta, that ``integration over spin coordinates'' is a true integration (over the angles θs,ϕs\theta_s, \phi_s). In addition they facilitate construction of many electron wavefunctions in which the electron spins are neither parallel nor antiparallel, but inclined at an intermediate angle. In particular this may have application to the description of EPR correlation experiments.

Keywords

Cite

@article{arxiv.quant-ph/0507008,
  title  = {Explicit Spin Coordinates},
  author = {Geoffrey Hunter and Ian Schlifer},
  journal= {arXiv preprint arXiv:quant-ph/0507008},
  year   = {2007}
}

Comments

7 Pages: submitted to the International Journal of Quantum Chemistry