Screened potential in π-electron systems and its application to the estimation of excitation energies
✍ Scribed by Kenji Yamaguchi
- Publisher
- Springer
- Year
- 1978
- Tongue
- English
- Weight
- 423 KB
- Volume
- 49
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
An exact formula of the inverse covariance matrix of an autoregressive stochastic process is obtained using the Gohberg}Semencul explicit inverse of the Toeplitz matrix. This formula is used to build an estimator of the inverse covariance matrix of a stochastic process based on a single realization.
## 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