A new method for helicity calculations
โ Scribed by Alessandro Ballestrero; Ezio Maina
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 788 KB
- Volume
- 350
- Category
- Article
- ISSN
- 0370-2693
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## A NEW METHOD FOR LARGE-SCALE CI CALCULATIONS A new method for obtaining the coefficients in a fv.rgc CI expansion is pmpnsed. Instead flf consfructing an intcrxtlon matrix, the expansion coefficients ;1~e obtained directly from the list of two-electron integrals by means of 3n iterative procedu
The recently proposed stochastic diagonalization method is applied to the ab initio quantum chemistry configuration interaction problem. In this context it can be viewed as a multi-reference CI method with dynamic selection of important configurations. The method is compared with other methods and t