Dispersion Energy from the Time-Independent Coupled-Cluster Polarization Propagator

We present a new method of calculation of the dispersion energy in the second-order symmetry-adapted perturbation theory. Using the Longuet-Higgins integral and time-independent coupled-cluster response theory, one shows that the general expression for the dispersion energy can be written in terms o...

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Veröffentlicht in:	Journal of chemical theory and computation 2023-02, Vol.19 (4), p.1177-1185
Hauptverfasser:	Żuchowski, Piotr S, Moszynski, Robert
Format:	Artikel
Sprache:	eng
Schlagworte:	Clusters Complex systems Dispersion Excitation Linear equations Mathematical analysis Perturbation theory
Online-Zugang:	Volltext
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