The treatment of electron correlation in aperiodic systems. III. Application to polypeptides
โ Scribed by C.-M. Liegener; A. Sutjianto; J. Ladik
- Book ID
- 107942555
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 297 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0301-0104
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๐ SIMILAR VOLUMES
## Abstract The selfโcorrelated field method is based on the insertion in the group product wave function of pair functions built upon a set of correlated โlocalโ functions and of โnonlocalโ functions. This work is an application to threeโelectron systems. The effects of the outer electron on the i
## Abstract The coupledโcluster variationalโlike direct approach to the calculation of ionization and electron attachment energies and of excitation energies is applied to several ฯโelectron model systems, using the PPP Hamiltonian with various parametrizations. A simple approximation, which repres