Frequency-dependent hyperpolarizabilities in the brueckner coupled-cluster theory

A formulation for calculating frequency‐dependent hyperpolarizabilities in the coupled‐cluster (CC) theory with the Brueckner orbitals is presented. Our quasi‐energy derivative (QED) method is applied, and explicit expressions for response properties up to third order [μ, α(−ω1;ω1), β(−ωσ;ω1, ω2)] a...

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Veröffentlicht in:	International journal of quantum chemistry 1994-07, Vol.51 (2), p.87-97
Hauptverfasser:	Aiga, Fumihiko, Sasagane, Kotoku, Itoh, Reikichi
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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