2024
DOI: 10.1088/1402-4896/ad4d23
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Nonlinear optical properties of KnCl (n = 2–7) superalkali clusters

Şükrü Şentürk,
Fraidoon Fardad,
Yavuz Ekincioğlu

Abstract: The lowest energy structures along with the low lying isomer, stabilities, electronic properties, optical properties and nonlinear optical responses of KnCl (n = 2–7) clusters were studied within the density functional theory. The second order energy difference, dissociation energy and GH-L (HOMO–LUMO gap) point out that KnCl (n = 3, 5, 7) clusters are more stable. The calculated adiabatic ionization energies (AIE) for the KnCl (n = 2–6) clusters are in agreement with the measured ionization energies. The opti… Show more

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