Scholarlink

In this chapter we come to the exposition of the coupled cluster method. We first describe the method of configuration interaction and discuss its main shortcoming: the size-extensivity problem. Then we show how the coupled cluster exponential Ansatz solves this problem in a systematic way. Finally, we derive the spin-orbital form of equations for coupled cluster amplitudes.

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Coupled Cluster Method

  • 章节

  • 发表日期：

    2025年

查看全文
  • Jaroslav Zamastil,
  • Tereza Uhlířová

摘要

In this chapter we come to the exposition of the coupled cluster method. We first describe the method of configuration interaction and discuss its main shortcoming: the size-extensivity problem. Then we show how the coupled cluster exponential Ansatz solves this problem in a systematic way. Finally, we derive the spin-orbital form of equations for coupled cluster amplitudes.