Remarkable nonlinear optical response of Mn@C20 (M = Na & K and n = 1–6); a DFT outcome
Naveen Kosar, Hira Tahir, Khurshid Ayub, Mazhar Amjad Gilani, Muhammad Imran, Tariq Mahmood
Topics & Concepts
HyperpolarizabilityDensity functional theoryDopingEndothermic processMaterials scienceAtom (system on chip)FullereneHOMO/LUMOCrystallographyPhysical chemistryNonlinear opticalComputational chemistryChemistryMoleculeNonlinear systemPhysicsOrganic chemistryOptoelectronicsEmbedded systemComputer scienceAdsorptionQuantum mechanicsFullerene Chemistry and ApplicationsNonlinear Optical Materials ResearchBoron and Carbon Nanomaterials Research