Experimental investigation of the R85b2 a Σ3u+ triplet ground state: Multiparameter Morse long range potential analysis

Abstract

Using perturbation facilitated infrared-infrared double resonance excitation of the (85)Rb(2) molecule, we have observed spectrally resolved fluorescence to the a (3)Sigma(u)(+) state. We have analyzed the rovibrational energy level structure of the (85)Rb(2) a (3)Sigma(u)(+) state and derived a multiparameter Morse Long Range (MLR) potential and molecular constants for this state, which can be used to predict term values without needing to solve the radial Schrödinger equation.

Potential energy surface for spin-polarized rubidium trimer

“…31 The best agreement is in the case of the energy-scaled potential energy curve obtained with the basis sets B, closely followed by the basis set C. Note that we did not attempt any coordinate scaling/shifting at this point; thus the values of r e remain the same as in the original ab initio curves, i.e., the same as in Table I.…”

“…Interestingly, when we reversed our procedure, i.e., we scaled the interaction energies ͑calculated using the basis set B͒ by a factor of 1.073 998 and shifted the corresponding grid points by Ϫ0.049 Å in order to match the results D e = 241.453 cm −1 and r e = 6.069 Å derived from experiment 31 and then calculated the scattering lengths, we obtained a very respectable result of 392.17a 0 , 98.85a 0 , and 200.60a 0 for 85 Rb 85 Rb, 87 Rb 87 Rb, and 85 Rb 87 Rb, respectively.…”

Matlab tool qOptimizerq: Construction and Optimization of Multi-Block Mathematical Models-Application to spectroscopy experiments with ultracold gases of alkali metals

“…The most principal part of the library includes routines for simulating the quantummechanical dynamics in a molecule: the Numerov algorithm, the Renormalized Numerov algorithm, and the Mapped Fourier Grid algorithm for solution the time-independent 1D (generally, multichannel) Shrödinger equation; the splitoperator algorithm for solution the time-dependent 1D multichannel Shrödinger equation; and many other routines specific for the molecular spectroscopy. See [5][6][7][8][9] and references therein.…”

“…For example, a set of experimental spectroscopic data can include [5][6][7][8][9] term values of a molecule in various electronic and ro-vibronic states, intensities of bound-bound, bound-free, and free-bound transitions, complementary a priory data from ab initio calculations, etc. The parameters of this model can be the adiabatic potential functions, the functions of dipole transitions, the nonadiabatic matrix elements, some technical parameters of the experiment.…”

Experimental study of the 61Σg+ state of the rubidium dimer

“…The low-lying electronic states of Rb 2 such as the singlet X 1 Σ + g [20][21][22] and triplet a 3 Σ + g [23] ground states and the A 1 Σ + u ∼ b 3 Π u [24,25] intermediate states as well as some other excited upper states have been studied experimentally Refs. [21,, but the higher lying ion-pair states such as the 6 1 Σ + g state have not been observed experimentally.…”