Construction of potential curves for diatomic molecular states by the IPA method

XΣ+1andaΣ+Staanum1, Pashov2, Knöckel3 et al. 2007Phys. Rev. A1199592View full textAdd to dashboardCite

“…Initially, we start with a pointwise potential (defined in Section IV) based on the theoretical curve [26] and improve it using the procedure described in Ref. [32]. In the further analysis of the spectra we apply this pointwise potential curve since outside the range of the fitted v ′′ and J ′′ , it usually possesses better predictive properties than the Dunham type coefficients.…”

“…The self-consistent assignment and fitting procedure described above gives rise to accurate pointwise shortrange potentials [32]. For the long-range part of both potentials we use an extension of the form…”

Experimental study of the Ca $\mathsf{_2}$ $\mathsf{^1}$ S $\mathsf{+^1}$ S asymptote

“…Note that in principle the exact presentation of U (0) (R) is not of importance since we study only the possible small variations around it which are still allowed by the experimental data. The advantage of expressing the correction to the potential in a pointwise form (cubic spline function is used for interpolation) is that the influence of the parameters δu i is localized in R, since away from R i S i (R) decays exponentially [13]. This gives a high flexibility in constructing the needed form of the correction.…”

The Perturbation of the B1Π and C1Σ+ States in KLi

“…(12,13), so only the essential features are presented here. The method requires an approximate potential U 0 (R) for the investigated state and calculates a correction δU (R) which allows the set of eigenvalues {E v J } obtained by solving the Schrödinger equation with U 0 (R) + δU (R) to agree with the set of experimental eigenvalues {E exp v J } in the least squares approximation (LSA) sense.…”