Performance of Range Separated Density Functional in Solvent Continuum Tuning Long-range Hartree-Fock Exchange for Improved Orbital Energies

par Boruah, Abhijit
Publié dans: Journal of computational chemistry (2020)

A new nonempirical tuning scheme with single self-consistent field calculation Comparison with global and IP-tuned range-separated functional

par Borpuzari, Manash Protim
Publié dans: Journal of computational chemistry (2017)