Hybrid coupled cluster and molecular dynamics approach: Application to the excitation spectrum of cytosine in the native DNA environment

Correlation problems in atomic and molec

Correlation problems in atomic and molecular systems. VII. Application of the open-shell coupled-cluster approach to simple π-electron model systems

✍ M. Saute; J. Paldus; J. C̆íz̆ek 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 716 KB

## Abstract The coupled‐cluster variational‐like direct approach to the calculation of ionization and electron attachment energies and of excitation energies is applied to several π‐electron model systems, using the PPP Hamiltonian with various parametrizations. A simple approximation, which repres