Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory

Aleksandra M. Tucholska, Robert Moszynski

NEW ELECTRON CORRELATION METHODS AND THEIR APPLICATIONS, AND USE OF ATOMIC ORBITALS WITH EXPONENTIAL ASYMPTOTES(2021)

引用 1|浏览4
暂无评分
摘要
We review the methods based on expectation value coupled cluster formalism - a common framework for the derivation of properties: the ground-state average value of an observable, cumulants of the second-order reduced density matrices, polarization propagator, quadratic response function, and transition probabilities. We discuss the approximations and give examples of the most important numerical results.
更多
查看译文
关键词
molecular properties,response functions,coupled-cluster
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要