https://www.selleckchem.com/pr....oducts/SB-525334.htm
In this work, we consider the existence and topography of seams of conical intersections (CIs) for two key singlet-triplet systems, including a uniformly scaled spin-orbit interaction. The basic one triplet and one singlet state system denoted as (S0,T1) and the two singlets and one triplet system denoted as (S0,S1,T1) are treated. Essential to this analysis are realistic electronic structure data taken from a recently reported neural network fit for the 1,21A and 13A states of NH3, including Hsf (spin-free) and Hso (spin-orbit) surfa
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