Analysis of coupled cluster methods
โ Scribed by Dieter Cremer; Zhi He
- Book ID
- 105077184
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 988 KB
- Volume
- 88
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
We report open-shell analytical gradient methods and results for the high-level many-body methods, full fourth-order MBPT, coupled-cluster doubles, and the recently proposed unitary coupled-cluster method. Examples include vibrational frequencies and dipole moments of 'B, CH,, 2B, NH2, and 'B, SiH,
Several coupled-cluster approximations to the full CCSDTQ model, correct through sixth order, are presented and illustrated by numerical comparisons to full CI. Both iterative and non-iterative methods built upon underlying CCSDT solutions are considered. Unlike CCSDTQ, which is an -n" computational