We have performed very accurate quantum-mechanical calculations for the two lowest S states of the lithium
atom in order to determine the transition energy. In the nonrelativistic part of the calculations performed ...
Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH molecular
ion are reported and compared with newly obtained pure vibrational transitions extracted from the
available experimental ...
The Pauli approach to account for the mass-velocity and Darwin relativistic corrections has been
applied to the formalism for quantum mechanical molecular calculations that does not assume the
Born-Oppenheimer BO ...
Explicitly correlated Gaussian functions have been used to perform very accurate variational
calculations for the ground states of 7Li and 7Li−. The nuclear motion has been explicitly included
in the calculations i.e., ...
Variational calculations employing explicitly correlated Gaussian functions and explicitly including the
nuclear motion [i.e., without assuming the Born-Oppenheimer (BO) approximation] have been performed
to determine ...
We report the derivation of the orbit-orbit relativistic correction for calculating pure vibrational
states of diatomic molecular systems with electrons within the framework that does not assume
the Born-Oppenheimer ...
Submission guide