Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms
Qing Yang Li, Yan Fei Hu, Song Guo Xi, Yuan Yuan Li, Hang Yang, Yu Quan Yuan, Jie Yang, Meng Chun Li
Topics & Concepts
Natural bond orbitalBariumCluster (spacecraft)Chemical physicsMolecular orbitalChemistryDopingComputational chemistryAtomic orbitalMagnesiumDensity functional theoryCrystallographyAtomic physicsMaterials scienceMoleculeInorganic chemistryPhysicsOrganic chemistryElectronOptoelectronicsComputer scienceQuantum mechanicsProgramming languageInorganic Chemistry and MaterialsNanocluster Synthesis and ApplicationsAdvanced Chemical Physics Studies