Scaling, renormalisation and accuracy of perturbation calculations
โ Scribed by M. Cohen; S. Kais
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 268 KB
- Volume
- 105
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
l-or certain eigenvalue problems whrch lead to dkergent Rayleigh-Schrbdinger perturbation series, enegy estimates oi acceptable accuracy may be obtzined casrly m first order by optn-nlsing a vanahonal scale factor. Some simple calculations on the quartic anharmonic osc2lator and on the quadratic Zecman effect shorn errors xxhich are generally quite %mdl over a very wide range of perturbation pammeter valuer All (lY75) 1865.
๐ SIMILAR VOLUMES
## Abstract The quasiโdegenerate multireference secondโorder perturbation theory (MRMP2) routines in the GAMESS suite of program codes have been parallelized using a distributed data interface (DDI). Two typical kinds of molecules were chosen for examination of parallelization speedup using one to