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Higher order (A+E) multiply sign in circle e pseudo-Jahn-Teller coupling.
Eisfeld W, Viel A. Eisfeld W, et al. J Chem Phys. 2005 May 22;122(20):204317. doi: 10.1063/1.1904594. J Chem Phys. 2005. PMID: 15945734
The obtained expression for the 3 x 3 diabatic potential energy matrix is found to be closely related to the expression recently developed for the higher order Jahn-Teller case [A. Viel and W. Eisfeld, J. Chem. Phys. 120, 4603 (2004)]. The dynamical PJT coupling, wh …
The obtained expression for the 3 x 3 diabatic potential energy matrix is found to be closely related to the expression recently developed f …
Spin-orbit coupled potential energy surfaces and properties using effective relativistic coupling by asymptotic representation.
Ndome H, Eisfeld W. Ndome H, et al. Among authors: eisfeld w. J Chem Phys. 2012 Aug 14;137(6):064101. doi: 10.1063/1.4740248. J Chem Phys. 2012. PMID: 22897249
A new method has been reported recently [H. Ndome, R. Welsch, and W. Eisfeld, J. Chem. Phys. 136, 034103 (2012)] that allows the efficient generation of fully coupled potential energy surfaces (PESs) including derivative and spin-orbit (SO) coupling. ...
A new method has been reported recently [H. Ndome, R. Welsch, and W. Eisfeld, J. Chem. Phys. 136, 034103 (2012)] that allows t …
52 results