Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Conical intersections, spin-orbit interaction algorithms

Here we are principally concerned with two-state conical intersections of Hq. However the algorithm discussed in this section is quite general, being applicable to the Af odd with the spin-orbit interaction included case rj = 5, or 3) and three-state conical intersections of Hq (also an rj = 5 problem). This generality is illustrated in the discussion that follows. [Pg.140]

The results of the previous section demonstrate the convergence of our algorithm in the nonrelativistic r = 2 case. The inclusion of the spin-orbit interaction introduces new numerical challenges. Here we consider the 1,2 A conical intersection seam of H2OH. This seam of conical intersection is relevant to the quenching of OH(A E+) by Using the nonrelativis-... [Pg.165]

See other pages where Conical intersections, spin-orbit interaction algorithms is mentioned: [Pg.97]    [Pg.97]    [Pg.451]    [Pg.452]    [Pg.558]    [Pg.559]    [Pg.558]    [Pg.559]    [Pg.72]    [Pg.165]    [Pg.421]   
See also in sourсe #XX -- [ Pg.572 , Pg.573 ]



SEARCH



Conical intersection

Conical intersections, spin-orbit interaction

Conicity

Intersect

Spin interactions

Spin-orbit interaction

© 2024 chempedia.info