Structure, Energetics and Reactions of Bisketenes: An Ab Initio and Density Functional Theory Study
cited by 0
Paper 8 explicitly groups Density Functional Theory (B3LYP) alongside traditional ab initio methods like Hartree-Fock and MP2.
Superconductivity in Materials under Extreme Conditions: An <i>ab-initio</i> Prediction from Density Functional Theory
2022 · cited by 0
Paper 9 discusses ab-initio predictions derived directly from density functional theory.