Density-functional calculations of molecular electron affinities

by Takahata Yuji, Chong Delano P.
Published 1999-01-01

Is HAM/3 (hydrogenic atoms in molecules, version 3) a semiempirical version of dft (density functional theory) for ionization processes?

by Takahata Yuji, Chong Delano P., Segala Maxmiliano
Published 2004-01-01