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An excitonic method based on PPP Hamiltonian: application to the dimerization of polyenes

✍ Scribed by S. Pleutin; J-L Fave

Book ID
117542598
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
228 KB
Volume
101
Category
Article
ISSN
0379-6779

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πŸ“œ SIMILAR VOLUMES

On an application of the intermediate Ha
On an application of the intermediate Hamiltonian method for molecular systems
✍ Rikuzo Seto; Ivan V. Stankevich πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 188 KB πŸ‘ 2 views

An application of the intermediate Hamiltonian method is reported in estimation of the lower bounds to the potential energy curve of the hydrogen molecule ion. An improvement of the method and its limitation are also discussed.