Equation-of-motion coupled-cluster calculations of excitation energies. The challenge of ozone

Author:

Watts John D.,Bartlett Rodney J.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference43 articles.

1. For recent reviews see: R.J. Bartlett, in: D.R. Yarkony (Ed.), Modern Electronic Structure Theory, Part I, World Scientific, Singapore, 1995; J. Paldus, in: S. Wilson, G.H.F. Diercksen (Eds.), Methods in Computational Molecular Physics, Plenum, New York, 1992; T.J. Lee, G.E. Scuseria, in: S.R. Langhoff (Ed.), Quantum Chemical Electronic Structure Calculations With Chemical Accuracy, Kluwer, Dordrecht, 1995.

2. A linear response, coupled-cluster theory for excitation energy

3. The equation-of-motion coupled-cluster method: Excitation energies of Be and CO

4. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

5. The equation-of-motion coupled-cluster method. Applications to open- and closed-shell reference states

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