Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration for H2 and LiH

By Mark E. Casida, F. Gutierrez, Jingang Guan, F. Gadéa, D. Salahub, J. Daudey. 2000

220 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/39a8c660a1afa33b43a8d44950f2326a363c67de