Detailed wave function analysis for multireference methods: Implementation in the molcas program package and applications to tetracene

© 2017 American Chemical Society. High-level multireference computations on electronically excited and charged states of tetracene are performed, and the results are analyzed using an extensive wave function analysis toolbox that has been newly implemented in the Molcas program package. Aside from v...

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Bibliographic Details

Main Authors:	Felix Plasser, Stefanie A. Mewes, Andreas Dreuw, Leticia Gonzalez
Format:	Default Article
Published:	2017
Subjects:	Other chemical sciences not elsewhere classified Software engineering not elsewhere classified untagged Chemical Sciences not elsewhere classified Computer Software
Online Access:	https://hdl.handle.net/2134/32227
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