Method of calculating band shape for mol
โ
Pearl, Greg M.; Zerner, M. C.; Broo, Anders; McKelvey, John
๐
Article
๐
1998
๐
John Wiley and Sons
๐
English
โ 566 KB
A method for approximating the band shape of molecular electronic transitions based on a single geometric configuration is described. The band shape is modeled using an empirical parameter to estimate the width at half-height for each transition. In addition to generating a shape for allowed transit