✦ LIBER ✦
Recent advances in multireference second order perturbation CI: The CIPSI method revisited
✍ Scribed by Renzo Cimiraglia; Maurizio Persico
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 833 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
The evolution of the CIPSI method, with the latest modifications recently implemented in our laboratory, is described. A new version, based on a diagrammatic technique, is presented. Test calculations which have been run on water, ethylene, and transacroiein, show that the new method is a powerful tool for the study of medium-size molecular systems.