At a conical intersection
point, the plane spanned by the gradient
and the gradient
of the interstate coupling
are the configuration interaction eigenvectors (i.e., the excited and ground-state
wavefunctions) in a conical intersection
is the conical intersection
represents the nuclear configuration vector of the system, and thus
is a unit vector in the direction of vector
are the energies of the lower and upper states, respectively.
The branching plane is also referred to as the g
plane. Inspection of
provides information on the geometrical deformation imposed on an excited state
molecular entity immediately after decay at a conical intersection
. Consequently, these vectors provide information on the ground-state
species that will be formed after the decay.
PAC, 2007, 79, 293
(Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006))
on page 309
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