A DFT/TDDFT and QTAIM based investigation of the titanium-doped Boron-38 cluster
Siddheshwar Chopra, Tian Lu
Topics & Concepts
Time-dependent density functional theoryDensity functional theoryBoronDopingCluster (spacecraft)Materials scienceBand gapChemical physicsExcitonComputational chemistryChemistryCondensed matter physicsPhysicsOrganic chemistryOptoelectronicsComputer scienceProgramming languageBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryRare-earth and actinide compounds