These are the vibrational-rotational energies for the ground electronic state of the hydrogen molecular ion calculated using the Born-Oppenheimer potential without corrections. The 423 energies E(v,N)
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract In this paper we present the Uppsala Quantum Chemistry package (UQUANTCHEM), a new a
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin-densities or total...
