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Nonlinear optical response of LiClK (n = 1–6) superalkali clusters.

The geometrical structures, stabilities, electronic properties and nonlinear optical response of the halogen doped bimetallic LiClK (n = 1–6) clusters were studied within the density functional theory. Based on the dissociation energy, second order energy difference and GH-L (HOMO-LUMO gap), the LiC...

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Publicado en:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 79; no. 2; pp. 101 - 116
Autores principales: Şentürk, Şükrü, Ekincioğlu, Yavuz, Doğan, Ümit
Formato: Artículo
Publicado: De Gruyter Feb2024
Materias:
Excess electrons
Density functional theory
Ionization energy
Molecular polarizability
Acceso en línea:Ver este registro en EBSCOhost