Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen

Abstract

A general approach to evaluation of two-centre two-electron exponential integrals with arbitrary parameters is presented. The results for the Born-Oppenheimer potential for various excited states of molecular hydrogen with Koł os-Wolniewicz functions are obtained with precision exceeding previous values by about 3 orders of magnitude.

17 pages

References in corpus (4)

• The Fundamental Vibration of Molecular Hydrogen
• Bounds on fifth forces from precision measurements on molecules
• Two-center two-electron integrals with exponential functions
• Analytical two-center integrals over Slater geminal functions

Cited by in corpus (6)

• Accurate Born-Oppenheimer potentials for excited ${\Sigma }^{+}$ states of the hydrogen molecule
• Born-Oppenheimer potentials for $\Pi$, $\Delta$, and $\Phi$ states of the hydrogen molecule
• Combining Slater-type orbitals and effective core potentials
• Long-range asymptotics of exchange energy in the hydrogen molecule
• Screening in the Heitler-London Model: Revisiting the Bonding and Antibonding States of the Hydrogen Molecule
• Nonadiabatic corrections to electric quadrupole transition rates in H${}_2$