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arXiv quant-ph/0507008quant-ph
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Explicit Spin Coordinates

Geoffrey Hunter, Ian Schlifer

英文摘要:

The recently established existence of spherical harmonic functions, $Y_\ell^{m}(θ,ϕ)$ for half-odd-integer values of $\ell$ and $m$, allows for the introduction into quantum chemistry of explicit electron spin-coordinates; i.e. spherical polar angles $θ_s, ϕ_s$, that specify the orientation of the spin angular momentum vector in space. In this coordinate representation the spin angular momentum operators, $S^2, S_z$, are represented by the usual differential operators in spherical polar coordinates (commonly used for $L^2, L_z$), and their electron-spin eigenfunctions are $\sqrt{\sinθ_s} \exp(\pmϕ_s/2)$. This eigenfunction representation has the pedagogical advantage over the abstract spin eigenfunctions, $α, β,$ that ``integration over spin coordinates'' is a true integration (over the angles $θ_s, ϕ_s$). 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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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