Accurate calculation of binding energies for molecular clusters - Assessment of different models
详细信息 查看全文
- 作者：Joachim Friedrich ; joachim.friedrich@chemie.tu-chemnitz.de" class="auth_mail" title="E-mail the corresponding author ; Benjamin Fiedler
- 关键词：Binding energy ; Correlation ; Benchmark ; Incremental scheme
- 刊名：Chemical Physics
- 出版年：2016
- 出版时间：15 June 2016
- 年：2016
- 卷：472
- 期：Complete
- 页码：72-80
- 全文大小：1049 K
文摘
- •
Determination of a suitable reference for high-level benchmark studies.
- •
Assessment of the local errors due to the incremental scheme.
- •
Computation of highly accurate CCSD(T)/CBS benchmark values for binding energies.
- •
Assessment of different state-of-the-art methods for binding energies.