𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd2 using Slater-type orbitals

✍ Scribed by José M. García de la Vega; Beatriz Miguel


Book ID
105886850
Publisher
Springer
Year
2000
Tongue
English
Weight
106 KB
Volume
104
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio theoretical description of low
✍ D.A. Luippold 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 593 KB

Excitation energies and out-of-plane spatial character tz2) of the lowest nn\* sinplet and triplet states of tranr-1-3&hexatricne were described as a function of various basis sets and ciectron correlation procedures. Confiration interaction (Cl) utilized all single and double excitations, (1+2)CI,

Anomalously low-lying lowest excited tri
✍ Kota Sato; Akihiko Uchiyama; Susumu Iwabuchi; Tsuneo Hirano; Hideomi Koinuma 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 266 KB

The anomalously low vertical excitation energy from the ground state to the lowest excited triplet state (T, ) is predicted for SiH2FCH=CH2 (4.6 eV) by the quantum chemical calculation using ab initio MP3/3-21 +G\*//HF/3-21 +G\* molecular orbital methods. The steric effect of the fluorine which alte