A comparative study of theoretical methods for calculating forbidden transitions
References (36)
- et al.
Chem. Phys. Letters
(1978) - et al.
Chem. Phys. Letters
(1975) - et al.
Chem. Phys. Letters
(1972) - et al.
Chem. Phys. Letters
(1973) - et al.
J. Mol. Spectry.
(1969) - et al.
J. Mol. Spectry.
(1963) - et al.
J. Mol. Spectry.
(1969) - et al.
Z. Physik. Chem.
(1933) Z. Naturforsch.
(1958)Accounts Chem. Res.
(1977)
J. Chem. Phys.
Ph.D. Dissertation
J. Chem. Phys.
J. Chem. Phys.
J. Chem. Phys.
J. Chem. Phys.
Cited by (18)
Chapter 6 Ultrafast Radiationless Transitions
2007, Thin Films and NanostructuresTheoretical investigations on the vibronic coupling between the electronic states S<inf>0</inf> and S<inf>1</inf> of formic acid including the photodissociation at 248 nm
2005, Chemical Physics LettersCitation Excerpt :We present results for the trans-HCOOH vibronic coupling since it is the most stable conformer, the only one with measured spectrum and because our classical trajectory calculations for both dissociations [11] show that the branching ratios of the two reactions are very similar for different initial excitations (i.e., starting from the trans and the cis conformers). The methodology, known as the direct method since it calculates the vibronic coupling directly and not through perturbation theory, has been applied before, with small variations, by other authors [12–15] and we have used it extensively before [16–20]. The starting point of the calculation is the Born–Oppenheimer approximation for the total wave function, Ψkν = ψk(r; Q)χkν(Q), ψk and χkν being the electronic and vibrational wave functions for the (k,ν) vibronic state, respectively.
Vibronic coupling for H<inf>2</inf>CO and CO<inf>2</inf>
2000, Chemical PhysicsComparison among several vibronic coupling methods
2022, Journal of Molecular ModelingVibronic effects on the 1t<inf>1</inf> → 3s Rydberg excitation in CF<inf>4</inf> induced by electron impact
2011, Journal of Chemical Physics