With large Hylleraasαconfiguration 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 Γ ΩΩ are transformed into i-j i j nonorthogonal coordinates expressed in interpart
Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons
β Scribed by K. Rashid; B. Fricke; D. Heinemann; Z. A. Saadi
- Book ID
- 112532511
- Publisher
- Springer
- Year
- 1987
- Tongue
- English
- Weight
- 787 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
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 Ε½ 2 . 1 s2 p of Li is y5.2137392 au. The evaluation of the occurring integrals is given 0 explicitly. Additionally, we
The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1