𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Numerical Study on the Size Consistency of the Multireference Perturbation Theory

✍ Scribed by CHEN, F


Book ID
122389279
Publisher
Elsevier Science
Year
2007
Weight
222 KB
Volume
23
Category
Article
ISSN
1872-1508

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Exact size consistency of multireference
✍ Huub J. J. van Dam; Joop H. van Lenthe; Paul J. A. Ruttink πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 178 KB πŸ‘ 1 views

Single-reference closed-shell Møller᎐Plesset perturbation theory is well known for its size consistency, a quality that is essential for consistent comparisons of calculations on molecules of different size. However, it is far from obvious whether this quality can be retained in the multireference c

A numerical test on the size consistency
✍ J. Rubio; A. Povill; F. Illas; J.P. Malrieu πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 656 KB

The size consistency of selected multireference CI approaches is tested on two model problems, namely seven non-interacting H, molecules at their equilibrium bond length r, or at 2r, and seven non-interacting Ne atoms, In all cases the results obtained from the two-class CIPSI method (which is a mul