Electronic Currents and Anapolar Response Induced in Molecules by Monochromatic Light

نویسندگان

چکیده

It is shown that the electric dipole- and quadrupole–anapole polarizabilities, denoted respectively by fαβ′ gα,βγ′, anapole magnetizability aαβ, are intrinsic properties of electron cloud molecules responding to optical fields. a nonvanishing property chiral achiral compounds, whereas aαβ suitable for enantiomer discrimination species. They can conveniently be evaluated numerical integration, employing formulation complementary provided perturbation theory relying on preliminary computation electronic current density tensors all over molecular domain. The origin dependence dynamic anapolar response rationalized via related computational techniques as well definitions tensors, example, dipole quadrupole polarizabilties magnetizability. A application reported Ra hydrogen peroxide molecule, evaluating tensor components dipole-anapole polarizability functions dihedral angle ϕ≡∠ H-O-O-H in range 0∘≤ϕ≤180∘.

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ژورنال

عنوان ژورنال: Chemistry

سال: 2021

ISSN: ['2624-8549']

DOI: https://doi.org/10.3390/chemistry3030073