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quant-ph2016★ 5 cited
Determination of the exchange interaction energy from the polarization expansion of the wave function
Piotr Gniewek, Bogumił Jeziorski
The exchange contribution to the energy of the hydrogen atom interacting with a proton is calculated from the polarization expansion of the wave function using the conventional sur…
quant-ph2014★ 7 cited
Asymptotics of the exchange splitting energy for a diatomic molecular ion from a volume integral formula of symmetry-adapted perturbation theory
Piotr Gniewek, Bogumił Jeziorski
The exchange splitting energy of the lowest \emph{gerade} and \emph{ungerade} states of the H molecular ion was calculated using a volume integral expression of symmetry-…
quant-ph2013★ 4 cited
On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions
Michał Lesiuk, Bogumił Jeziorski, Robert Moszynski
In currently most popular explicitly correlated electronic structure theories the dependence of the wave function on the interelectronic distance rij is built via the correlation f…