𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Accurate nonrelativistic energies for the lowest 4S states of Li

✍ Scribed by Arne Lüchow; René Barrois; Heinz Kleindienst


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
221 KB
Volume
216
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


An accurate upper bound calculation for the four lowest "S states of the lithium atom is given using the Hylleraas-CI method with large basis sets. The results for all calculated states are the best to date.


📜 SIMILAR VOLUMES


Accurate nonrelativistic energies for 2P
✍ René Barrois; Heinz Kleindienst; Arne Lüchow 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 186 KB

With large Hylleraas᎐configuration interaction CI basis sets highly accurate upper bounds for the lowest 2 P o states of the Li isoelectronic series up to Ne are given. The corresponding Hamiltonian H and the operator Ý ٌٌ are transformed into i-j i j nonorthogonal coordinates expressed in interpart

Accurate nonrelativistic energies for 2P
✍ René Barrois; Arne Lüchow; Heinz Kleindienst 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 195 KB

Highly accurate upper bounds for several 2 P e states of the Li isoelectronic series obtained by extensive Hylleraas-CI calculations are given. The best value for the 2 2 P e state Ž 2 . 1 s2 p of Li is y5.2137392 au. The evaluation of the occurring integrals is given 0 explicitly. Additionally, we

Accurate ab initio scf energy curves for
✍ Walter B. England 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 623 KB

Accurate ab imtio SCF calculations show that CO; rs metastable, with an electron affinity that is significantly larger in magnitude than previously calculated. C av group vibratronal frequencies and a barrier height for autodetachment arc determined for CO;. Agreement with experiment is good. The c