𝔖 Bobbio Scriptorium
✦   LIBER   ✦

SCF potential energy curves of CN+. The identify of the ground state

✍ Scribed by A.A. Wu

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
354 KB
Volume
59
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Numerical MC SCF and CI calculations of
Numerical MC SCF and CI calculations of the ground-state potential energy curve of N2
✍ Walter C. Ermler; Chen-Wen Huang πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 111 KB

The numeri~l procedure or McCullough is used in calculaGtns or Harrrtzz-Fock nnd hlC SCF waveruntxions for ground spate of N2\_ The la~cr are derived using the complete set of 1s spin and symmc~ry adapted configurnlions in the space or MOs lhnt arise from 7p ntomic orbilals. An incrust in disuxialio

Potential energy curves for the ground a
Potential energy curves for the ground and excited states of alh+
✍ Martyn F. Guest; David M. Hirst πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 394 KB

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

Pseudopotential SCF/CI calculation for t
Pseudopotential SCF/CI calculation for the potential energy curves of the CaHe pair
✍ E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 623 KB

Potential energy curves for the CaHe system are recalculated using a modified version of the pseudopotential method. Unlike our previous calculations, the CaHe diatomic is now handled as a four-electron system. In the Cl calculation, only the valence electrons of Ca are active, whereas the electrons