Calculation of transition moments between internally contracted MRCI wave functions with non-orthogonal orbitals†
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970701326978
Reference27 articles.
1. The self‐consistent electron pairs method for multiconfiguration reference state functions
2. An efficient internally contracted multiconfiguration–reference configuration interaction method
3. Molecular properties from MCSCF‐SCEP wave functions. II. Calculation of electronic transition moments
4. MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem
5. A quadratically convergent MCSCF method for the simultaneous optimization of several states
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