79 citations · 417 across the 18 of their papers we have counts for
4 papers · 1 filter
A QM/MM approach for the study of monolayer-protected gold clusters
Sandipan Banerjee, John A. Montgomery, José A. Gascón
We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold cluste…
Long range forces between polar alkali diatoms aligned by external electric fields
Jason N. Byrd, John A. Montgomery, Robin Côté
Long range electrostatic, induction and dispersion coefficients including terms of order have been calculated by the sum over states method using time dependent density fu…
Controllable binding of polar molecules and meta-stability of 1-D gases with attractive dipole forces
Jason N. Byrd, John A. Montgomery, Robin Côté
We explore one-dimensional (1-D) samples of ultracold polar molecules with attractive dipole-dipole interactions and show the existence of a repulsive barrier due to a strong quadr…
Ab initio potential curves for the X , A and B states of Ca
Sandipan Banerjee, John A. Montgomery, Jason N. Byrd +2
We report \textit{ab initio} calculations of the X , A and B states of the Ca dimer. All electron CAS+MRCI calculations are performed for t…