CCCC > Archive > Keywords > Multireference configuration interaction
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Multireference configuration interaction
- Oscar Rey Puiggros, Jiří Pittner*, Petr Čársky*, Philipp Stampfuss and Wolfgang Wenzel
Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction
2003, Vol. 68, Issue 12, pp. 2309–2321
[Abstract]
- Max Mühlhäuser*, Melanie Schnell and Sigrid D. Peyerimhoff
The Importance of Photodissociative Trichloromethanol for Atmospheric Chemistry
2003, Vol. 68, Issue 12, pp. 2297–2308
[Abstract]
- Josef Paldus* and Xiangzhu Li
Externally Corrected Coupled-Cluster Approaches: Energy versus Amplitude Corrected CCSD
2003, Vol. 68, Issue 3, pp. 554–586
[Abstract]
- Silmar A. do Monte*, Michal Dallos, Thomas Müller and Hans Lischka*
MR-CISD and MR-AQCC Calculation of Excited States of Malonaldehyde: Geometry Optimizations Using Analytical Energy Gradient Methods and a Systematic Investigation of Reference Configuration Sets
2003, Vol. 68, Issue 3, pp. 447–462
[Abstract]
- Olaf Hübner and Joachim Sauer*
Electronic States of Fe2S-/0/+
2003, Vol. 68, Issue 2, pp. 405–422
[Abstract]
- Ioannis S. K. Kerkines and Aristides Mavridis*
Electronic Structure and Bonding Nature of the Ground State Monocarbide Cations, ScC+, TiC+, VC+, and CrC+
2003, Vol. 68, Issue 2, pp. 387–404
[Abstract]
