𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Full configuration interaction calculations of the π-electronic spectra of polycyclic hydrocarbons

✍ Scribed by A. L. Wulfov

Book ID
110672110
Publisher
SP MAIK Nauka/Interperiodica
Year
1997
Tongue
English
Weight
156 KB
Volume
38
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Large-scale configuration interaction ca
Large-scale configuration interaction calculations on the π-electron states of benzene
✍ P.J. Hay; I. Shavitt 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio extcnsivc configuration interaction calculations were wrried out on the n-electron stsies of benzene. Among the three = -+ T;\*(elg+ e,,) sinplet states, 'BzU(SI). 'B1,(SI), and 'El, (S ), the TY\* orbital WZF found tc 3 b2 valence-like in S, and Sz, but diffuse in S3. All three correspon