Conical intersection seams in polyenes derived from their chemical composition.
Nenov A, de Vivie-Riedle R.
Nenov A, et al.
J Chem Phys. 2012 Aug 21;137(7):074101. doi: 10.1063/1.4745183.
J Chem Phys. 2012.
PMID: 22920097
The method is based on the extended two-electron two-orbital method [A. Nenov and R. de Vivie-Riedle, J. Chem. Phys. 135, 034304 (2011)]. ...Rules of thumb are introduced to find the support points for these segments, which are then used in a linear interpola …
The method is based on the extended two-electron two-orbital method [A. Nenov and R. de Vivie-Riedle, J. Chem. Phys. 135, 0343 …