Valence and Rydberg states of the BeH molecule
Abstract Accurate ab initio LCAO-MO-SCF-CI calculations were performed at a series of internuclear distances in order to obtain the potential energy curves for the five lowest states of 2 Σ + symmetry and the four lowest of 2 Π symmetry. A large STO basis set including Rydberg orbitals (RO) was used. The CI calculations were carried out in two steps, the first without including the RO's, the second including them together with the leading NO's of the first CI calculation. The results are in excellent agreement with available experimental values. Calculations were run with ALCHBXL (ref.1), an adapted version of ALCHEMY (ref.2) to CDC CYBER 170 computers.
The main objective of this article is to study dynamic of the ::: three-dimensional Boussinesq equations with the periodic boundary ::: condition.We prove that when the Rayleigh number $R$ crosses the ::: first critical Rayleigh number $R_c$, the Rayleigh-Benard problem ::: bifurcates from the basic state to an global attractor $\Sigma$, which is homeomorphic to $S^3$.