Rovibrational dynamics of the strontium molecule in the A(1)Σ(u)+, c(3)Π(u), and a(3)Σ(u)+ manifold from state-of-the-art ab initio calculations.

@article{Skomorowski2012RovibrationalDO,
  title={Rovibrational dynamics of the strontium molecule in the A(1)$\Sigma$(u)+, c(3)$\Pi$(u), and a(3)$\Sigma$(u)+ manifold from state-of-the-art ab initio calculations.},
  author={Wojciech Skomorowski and Filip Pawłowski and Christiane P. Koch and Robert Moszynski},
  journal={The Journal of chemical physics},
  year={2012},
  volume={136 19},
  pages={
          194306
        }
}
State-of-the-art ab initio techniques have been applied to compute the potential energy curves for the electronic states in the A(1)Σ(u)(+), c(3)Π(u), and a(3)Σ(u)(+) manifold of the strontium dimer, the spin-orbit and nonadiabatic coupling matrix elements between the states in the manifold, and the electric transition dipole moment from the ground X(1)Σ(g)(+) to the nonrelativistic and relativistic states in the A+c+a manifold. The potential energy curves and transition moments were obtained… 
Interatomic potentials, electric properties and spectroscopy of the ground and excited states of the Rb2 molecule: ab initio calculations and effect of a non-resonant field*
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of
Ground State Properties of the Polar Alkali-Metal-Ytterbium and Alkaline-Earth-Metal-Ytterbium Molecules: A Comparative Study.
TLDR
The results demonstrate that the dissociation energies and PDMs of AEM-yb are smaller than those of AM-Yb molecules, and an interesting trend of the dissociative energy has been observed.
Transition moments between excited electronic states from the Hermitian formulation of the coupled cluster quadratic response function.
TLDR
As a part of the numerical evidence for the new method, calculations of the transition moments between the excited triplet states which have not yet been reported in the literature within the coupled cluster theory are reported.
Polarizabilities, dispersion coefficients, and retardation functions at the complete basis set CCSD limit: From Be to Ba plus Yb.
Static and dynamic polarizabilities of alkaline earth metal atoms Be-Ba and of the Yb atom, as well as dispersion coefficients and retardation functions for their long-range interactions, are used as
Investigating the Selective Control of Photoassociation of Yb2
The selective control of photoassociation of Yb2 is investigated in theory. Based on ab initio to rationalize Franck–Condon filtering, the optimal target states of photoassociation have been
Combining Slater-type orbitals and effective core potentials
We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation
High-intensity two-frequency photoassociation spectroscopy of a weakly bound molecular state: Theory and experiment
We investigate two-frequency photoassociation of a weakly bound molecular state, focusing on a regime where the ac Stark shift is comparable to the halo-state energy. In this "high-intensity" regime,
Ultracold 88Sr2 molecules in the absolute ground state
We report efficient all-optical creation of an ultracold gas of alkaline-earth-metal dimers, 88Sr2, in their absolute ground state. Starting with weakly bound singlet molecules formed by narrow-line
Experimental and theoretical investigation of the crossover from the ultracold to the quasiclassical regime of photodissociation
At ultralow energies, atoms and molecules undergo collisions and reactions that are best described in terms of quantum mechanical wave functions. In contrast, at higher energies these processes can
...
...

References

SHOWING 1-10 OF 74 REFERENCES
Theoretical spectroscopy of the calcium dimer in the AΣu+1, cΠu3, and aΣu+3 manifolds: An ab initio nonadiabatic treatment
Nonadiabatic theory of molecular spectra of diatomic molecules is presented. It is shown that in the fully nonadiabatic framework, the rovibrational wave functions describing the nuclear motions in
Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects.
State-of-the-art ab initio techniques have been applied to compute the potential energy curves for the SrYb molecule in the Born-Oppenheimer approximation for the electronic ground state and the
The 1S+1S asymptote of Sr2 studied by Fourier-transform spectroscopy
An experimental study of the long range behavior of the ground state X1Σ+g of Sr2 is performed by high resolution spectroscopy of asymptotic vibrational levels and the use of available
Ab initio potential energy curves, transition dipole moments and spin–orbit coupling matrix elements for the first twenty states of the calcium dimer
State-of-the-art ab initio techniques have been applied to compute the potential energy curves of the calcium diatom in the Born–Oppenheimer approximation for the first twenty singlet and triplet
MAPPED FOURIER METHODS FOR LONG-RANGE MOLECULES : APPLICATION TO PERTURBATIONS IN THE RB2(0U+) PHOTOASSOCIATION SPECTRUM
Numerical calculations of vibrational levels of alkali dimers close to the dissociation limit are developed in the framework of a Fourier Grid Hamiltonian method. The aim is to interpret
Cold collisions of ground-state calcium atoms in a laser field: A theoretical study
State-of-the-art ab initio techniques have been applied to compute the potential-energy curves for the ground X {sup 1}{sigma}{sub g}{sup +} and excited {sup 1}{pi}{sub g}(4s3d) states of the calcium
Sympathetic cooling of the Ba + ion by collisions with ultracold Rb atoms: Theoretical prospects
State-of-the-art ab initio techniques have been applied to compute the potential energy curves of the (BaRb){sup +} molecular ion in the Born-Oppenheimer approximation for the singlet and triplet
Measurement of the atomic Na(3P) lifetime and of retardation in the interaction between two atoms bound in a molecule
From molecular spectroscopy of the Na2 purely long-range 0−g state we determine the Na(3P) lifetime and measure the predicted but previously unobserved effect of retardation in the interaction
...
...