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arxiv: 1103.4989 · v2 · pith:RCF6OUWUnew · submitted 2011-03-25 · 🪐 quant-ph · math-ph· math.MP· physics.atom-ph

The H₂^+ molecular ion: a solution

classification 🪐 quant-ph math-phmath.MPphysics.atom-ph
keywords distancesapproximationeigenfunctionsaccuracyapproximationscalculatedcombiningcompact
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Combining the WKB expansion at large distances and Perturbation Theory at small distances it is constructed a compact uniform approximation for eigenfunctions. For lowest states $1s\si_{g}$ and $2p\si_{u}$ this approximation provides the relative accuracy $\lesssim 10^{-5}$ (5 s.d.) for any real $x$ in eigenfunctions and for total energy $E(R)$ it gives 10-11 s.d. for internuclear distances $R \in [0,50]$. Corrections to proposed approximations are evaluated. Separation constants and the oscillator strength for the transition $1s\si_{g} \rar 2p\si_{u}$ are calculated and compared with existing data.

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