Theoretical scheme suitable for computations of accurate excitation energies and reaction
barriers. In the first step,
electron correlation is taken into account only to a certain extent by using a
CASSCF formalism (the so called non-dynamic correlation), whereas the remaining
electron correlation (the so called dynamic correlation) is included through the use of second-order
perturbation theory.
Source:
PAC, 2007, 79, 293
(Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006))
on page 316
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
https://doi.org/10.1351/goldbook.
