𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Potential energy curves for the ground and excited states of alh+

✍ Scribed by Martyn F. Guest; David M. Hirst


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
394 KB
Volume
84
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


PotentA energy curves for low-lying doublet states of AlH+ dlssociatmg to Ai+ + H, Al+(3P) f H, Ai+ f Hand Al(*P) + H+ have been detemuned by ab mitt0 confiiatton interaction calculations. Tbe B' *E+ state is predicted to be bound with a bond length of 2.06 A. Shallow muum are found for 4 *Z+ and 3 *rI. a are predicted for the 3 'Z+ and 2 'iI states and quasi-bound minima


πŸ“œ SIMILAR VOLUMES


Potential energy curves for ground and e
✍ I. Schmidt-Mink; W. MΓΌller; W. Meyer πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 693 KB

Sixteen low-lying electronx states of NaLi arc investigated by SCF/~alence CI calculations including core polarization effects by means of an effective potential. Spectroscopic constants arc obtained with estimated uncertainties of AR, G 0.01 A, awe E 0.6 cm-' and nD, < 80 cm-' \_ f-rom a comparison

Density Functional Studies of the Ground
✍ Wen-Ge Han; Timothy Lovell; Tiqing Liu; Louis Noodleman πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 437 KB πŸ‘ 2 views

Using spin-unrestricted density functional theory (the VWN Becke-Perdew potential), including broken-symmetry and spin-projection methods, we have obtained the potential-energy curves as a function of the central torsional angle of stilbene in the ground (S0), the first excited triplet (T1), the fir

The ground-state potential curve for F2
✍ Margareta R.A. Blomberg; Per E.M. Siegbahn πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 924 KB