Ab initio effective one-electron potential operators Applications for charge-transfer energy in effective fragment potentials

von Błasiak, Bartosz
Veröffentlicht in: Journal of computational chemistry (2021)

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-co...

von Baranowska-Łączkowska, Angelika
Veröffentlicht in: Journal of computational chemistry (2013)