Preferred Label : branching plane;
IUPAC definition : At a conical intersection point, the plane spanned by the gradient difference vector
(x1) and the gradient of the interstate coupling vector (x2): \[x_{1} \frac{Δ(E_{2}-E_{1})}{Δ
Q}bf{q}\] \[x_{2} bf{C}_{1} {t}(\frac{Δ H}{Δ Q})bf{C}_{2} bf{q}\] where C1 and
C2 are the configuration interaction eigenvectors (i.e., the excited and ground-state
adiabatic wavefunctions) in a conical intersection problem, H is the conical intersection
Hamiltonian, Q represents the nuclear configuration vector of the system, and thus
q is a unit vector in the direction of vector q. E1 and E2 are the energies of the
lower and upper states, respectively.;
Scope note : the branching plane is also referred to as the g-h plane. inspection ofx1and x2provides
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.;
Origin ID : BT07335;
See also
At a conical intersection point, the plane spanned by the gradient difference vector
(x1) and the gradient of the interstate coupling vector (x2): \[x_{1} \frac{Δ(E_{2}-E_{1})}{Δ
Q}bf{q}\] \[x_{2} bf{C}_{1} {t}(\frac{Δ H}{Δ Q})bf{C}_{2} bf{q}\] where C1 and
C2 are the configuration interaction eigenvectors (i.e., the excited and ground-state
adiabatic wavefunctions) in a conical intersection problem, H is the conical intersection
Hamiltonian, Q represents the nuclear configuration vector of the system, and thus
q is a unit vector in the direction of vector q. E1 and E2 are the energies of the
lower and upper states, respectively.
