Remarkable electronic and NLO properties of bimetallic superalkali clusters: a DFT study
Atazaz Ahsin, Khurshid Ayub
Topics & Concepts
HyperpolarizabilityElectron affinity (data page)Bimetallic stripIonization energyDipoleDensity functional theoryMaterials scienceAtom (system on chip)HOMO/LUMOBand gapChemistryMolecular physicsAtomic physicsIonizationComputational chemistryPolarizabilityPhysicsOptoelectronicsMoleculeOrganic chemistryIonMetalEmbedded systemComputer scienceNonlinear Optical Materials ResearchMagnetism in coordination complexesCrystal Structures and Properties