The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
The vibronic coupling between 2 Π and 2 Σ electronic states of a linear molecule is considered with the inclusion of the spin–orbit coupling of the 2 Π electronic state, employing the microscopic (Breit–Pauli) spin–orbit coupling operator in the single-electron approximation. The 6×6 Hamiltonian matrix in a diabatic spin-electronic basis is derived by an expansion of the molecular...
In view of recent experimental and theoretical developments, we revisit our earlier theoretical studies (Mahapatra et al., 2004, 2005) on the Jahn–Teller effect in the degenerate X∼2E electronic ground state of CH3F+. The electronic potential energy surfaces and the coupling surfaces are re-calculated employing state-of-the-art ab initio quantum chemistry methods. The vibronic Hamiltonian, constructed...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.