Fig. 3: Geometric propensity field and its multipoles. | Communications Physics

Fig. 3: Geometric propensity field and its multipoles.

From: Geometric magnetism and anomalous enantio-sensitive observables in photoionization of chiral molecules

Fig. 3: Geometric propensity field and its multipoles.The alternative text for this image may have been generated using AI.

Net propensity field and the net radial component of the propensity field emerging upon excitation of \(\left\vert i\right\rangle =\left\vert {{{{{{{\rm{LUMO}}}}}}}}\right\rangle\) and \(\left\vert j\right\rangle =\left\vert {{{{{{{\rm{LUMO}}}}}}}}+1\right\rangle\) orbitals in propylene oxide. Symmetric \({{{{{{{{\bf{P}}}}}}}}}_{ij}^{+}({{{{{{{\bf{k}}}}}}}})\) [a, Eq. (12)] and asymmetric \({{{{{{{{\bf{Q}}}}}}}}}_{ij}^{-}({{{{{{{\bf{k}}}}}}}})\) [b, Eq. (11)] and \({{{{{{{{\bf{P}}}}}}}}}_{ij}^{-}({{{{{{{\bf{k}}}}}}}})\) [c, Eq. (12)] quadratures for k = 0.2 a.u. Each point on the grey sphere corresponds to a given direction of k and each vector to either \({{{{{{{{\bf{P}}}}}}}}}_{ij}^{+}\), \({{{{{{{{\bf{Q}}}}}}}}}_{ij}^{-}\), or \({{{{{{{{\bf{P}}}}}}}}}_{ij}^{-}\) for that direction of k. d Magnitude of the net value \(| {{{\boldsymbol{\sf{P}}}}}_{ij}^{+}(k)|\) [Eq. (13)], which governs Class I observables, such as enantio-sensitive molecular orientation (PI-MOCD) [Eqs. (18), (19))]. e, f Net values of the radial components \({[{{\mathsf{Q}}}_{\parallel }^{-}(k)]}_{ij}\) [d, Eq. (15)] and \({[{{\mathsf{P}}}_{\parallel }^{-}(k)]}_{ij}\) [f, Eq. (16)], which govern Class II observables, such as the TD-PECD [Eq. (22)].

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