✦ LIBER ✦

Model Hamiltonian Approach to the Infrared Intensities of Charged Conjugated π-Electron Systems

✍ Scribed by Torii, Hajime

Book ID: 120337205
Publisher: American Chemical Society
Year: 2000
Tongue: English
Weight: 224 KB
Volume: 104
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp992910c

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A model Hamiltonian for examining the in

A model Hamiltonian for examining the infrared intensities of charged conjugated π-electron systems: application to the triphenylene radical cation

✍ Hajime Torii 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 87 KB

An attempt to approach the solutions of

An attempt to approach the solutions of the N-electron CNDO hamiltonian for conformational studies of conjugated systems

✍ Jacqueline Langlet; Jean Pierre Daudey; Jean-Paul Malrieu 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 517 KB

Charge and spin correlation structures o

Charge and spin correlation structures of conjugated π systems: Analysis of full CI wave functions of the PPP hamiltonian

✍ Katsufumi Hashimoto 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 579 KB

## Abstract An analysis of the electronic correlation structures by means of the charge and spin correlation functions is carried out for full CI wave functions of four, five, and six membered conjugated π systems described by the Pariser–Parr–Pople Hamiltonian. The low‐lying states of these system

Basis set and electron correlation effec

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

✍ Champagne, Benoı^t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 376 KB

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

ChemInform Abstract: Modeling the Depend

ChemInform Abstract: Modeling the Dependence of the π-Electron Energy on the Size of Conjugated Molecules. A Monte Carlo Approach

✍ Ivan Gutman; Dusica Vidovic; Tanja Soldatovic 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 27 KB