Long range interactions between like homonuclear alkali metal diatoms

Abstract

Long range electrostatic and van der Waals coefficients up to terms of order R-8 have been evaluated by the sum over states method using ab initio and time dependent density functional theory. We employ several widely used density functionals and systematically investigate the convergence of the calculated results with basis set size. Static electric moments and polarizabilities up to octopole order are also calculated. We present values for Li2 through K2 which are in good agreement with existing values, in addition to new results for Rb2 and Cs2. Interaction potential curves calculated from these results are shown to agree well with high level it ab initio theory.

References in corpus (7)

• Dipolar collisions of polar molecules in the quantum regime
• Diamondoid Molecules
• Enhanced sensitivity to variation of $m_e/m_p$ in molecular spectra
• Calculations of static dipole polarizabilities of alkali dimers. Prospects for alignment of ultracold molecules
• Dispersion interactions and reactive collisions of ultracold polar molecules
• Structure and thermochemistry of K${}_2$Rb, KRb${}_2$ and K${}_2$Rb${}_2$
• Time-dependent density functional theory calculation of van der Waals coefficient of sodium clusters

Cited by in corpus (12)

• Manipulation of Molecules with Electromagnetic Fields
• Long-range interactions between polar alkali-metal diatoms in external electric fields
• Quantum phases of quadrupolar Fermi gases in optical lattices
• Lattice solitons with quadrupolar intersite interactions
• Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
• Long range forces between polar alkali diatoms aligned by external electric fields
• Controlling ultracold chemical reactions via Rydberg-dressed interactions
• Controllable binding of polar molecules and meta-stability of 1-D gases with attractive dipole forces
• Exotic roton excitations in quadrupolar Bose-Einstein condensates
• Photoassociation of ultracold long-range polyatomic molecules
• Associative detachment of rubidium hydroxide
• Low-energy scatterings and pseudopotential of polarized quadrupoles