Second-order hyperpolarizability and susceptibility calculations of a series of ruthenium complexes

The ab-initio quantum mechanical calculations (time-dependent Hartree-Fock (TDHF) method) of a series of ruthenium complexes have been carried out to compute electric dipole moment (μ), dispersion-free and frequency-dependent first hyperpolarizability (β) values. The one-photon absorption (OPA) char...

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Bibliographische Detailangaben

Hauptverfasser:	Karakas, A., Dag, T., Taser, M., Fillaut, J.-L, Migalska-Zalas, A., Sahraoui, B.
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Charge transfer Compounds configuration interaction electric dipole moment electro-optics Pockels effect first hyperpolarizability Geometry Integrated optics Metals Microscopy Nonlinear optics time-dependent Hartree-Fock
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