Coupled cluster response functions

作者：Henrik Koch, Poul Jo rgensen · 发表于：The Journal of Chemical Physics · 年份：1990 · DOI：10.1063/1.458814 · 被引用次数：1167 · 研究领域：Advanced Chemical Physics Studies、Spectroscopy and Quantum Chemical Studies、Photochemistry and Electron Transfer Studies

The linear and quadratic response functions have been determined for a coupled cluster reference state. From the response functions, computationally tractable expressions have been derived for excitation energies, first- and second-order matrix transition elements, transition matrix elements between excited states, and second- and third-order frequency-dependent molecular properties.