Ab initio electronic structure and transition properties of CH + isotope series including spin-orbit coupling

Volume: 1117, Pages: 276 - 284
Published: Oct 1, 2017
Abstract
null null null Ab initio null potential energy curves (PECs) and transition dipole moments (TDMs) have been calculated for the null X null null 1 Σ + , null a null null 3 Π and null A null null 1 Π states using the complete active space self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) method with the aug-cc-pV6Z basis set. Franck-Condon factors (FCFs), radiative lifetimes and oscillator strengths were...
Paper Details
Title
Ab initio electronic structure and transition properties of CH + isotope series including spin-orbit coupling
Published Date
Oct 1, 2017
Volume
1117
Pages
276 - 284
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