2Π1/2 and 2Π3/2 interaction curves for LiHe (red) and NaHe (black). The curves obtained from Pascale's potentials36 (dashed lines) are compared with our ab initio curves (full line). A closer look of the region of the potential minima for NaHe is presented in the inset.
Cuts of the first excited potential energy surface for Li*He2 (left) and Na*He2 (right) using Pascale's36 (top) or the present interaction curves in the DIM matrix. The fixed alkali helium distance is such that the global minimum of potential indicated by the arrow is seen. θ corresponds to the angle while the abscissae is the distance between the alkali atom and the second helium atom. The contour lines are 50 cm−1 apart for the Li*He2 (left) system and 15 cm−1 for Na*He2 (right).
Minimum of the potential energy surface within the regular ring constraint as a function of number of helium atoms, n, when our ab initio (filled circles) and Pascale's (open circles) diatomic curves are used in the DIM matrix. Values are rescaled with respect to the n = 2 value.
Ak-He radial density distributions for LiHe2 (top) and NaHe2 (bottom) as a function of the Ak-He distance in a 0. The DIM surface used is based on our ab initio (full lines) or on Pascale's (dashed lines) diatomic interactions.
Radial (top) and angular (bottom) distributions for LiHe5 (left) and NaHe5 (right). The DIM surface used is based on our ab initio (full lines) or on Pascale's (dashed lines) diatomic interactions.
Optimized parameters [in a.u.] of the trial wave function for Ak*He n clusters as defined in Eq. (1) and Eqs. II.
Comparison of well depths D e [in cm−1] and equilibrium distances R e [in a 0] of the X 2Σ and A 2Π states of LiHe and NaHe.
Vibrational ground state energies and chemical potential [in cm−1] of LiHe n using our ab initio curves (a) and Pascale's (Ref. 36) curves (b) in the DIM matrix.
Same as in Table III for the NaHe n clusters.
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