PROJECTION OF SINGLE-DETERMINANT SOLUTIONS OF SPIN-POLARIZED SELF-CONSISTENT FIELD EQUATIONS IN THE BASIS SET OF SPIN-PAIRED ORBITALS.

Autor: Ovchinnikov, D. A.1,2 (AUTHOR), Ruzankin, S. F.1 (AUTHOR), Kovalskii, V. Yu.1,3 (AUTHOR), Zilberberg, I. L.1,2,3 (AUTHOR) igor@catalysis.ru
Zdroj: Journal of Structural Chemistry. Aug2021, Vol. 62 Issue 8, p1147-1166. 20p.
Databáze: Academic Search Ultimate