Article ID Journal Published Year Pages File Type
5383433 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► We calculate dissociating, autoionizing states using block diagonalization. ► We applied the method to the dissociative recombination of electrons with N2H+. ► Rydberg-valence coupling was distentangled from N2 bond-breaking effects. ► For N2H, the N2 + H product channel appears to be favored.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio calculations of autoionizing states using block diagonalization: Collinear diabatic states for dissociative recombination of electrons with N2H+
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