Double-minimum potential-energy curve resulting from the adiabatic effect: The hstate of
- 18 September 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 63 (12) , 1223-1225
- https://doi.org/10.1103/physrevlett.63.1223
Abstract
Calculations of the adiabatic effects for the state of the hydrogen molecule have been performed using an explicitly correlated wave function. It is shown that in contrast to the Born-Oppenheimer results the adiabatic potential-energy curve for the h state is characterized by a double-minimum function. The nature and consequences of this finding are discussed.
Keywords
This publication has 6 references indexed in Scilit:
- The Electronic Spectrum and Energy Levels of the Deuterium MoleculeJournal of Physical and Chemical Reference Data, 1985
- The 3d-triplet complex of molecular hydrogen : the measured Zeeman effect and the calculated eigenvectors and g-factorsMolecular Physics, 1979
- Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen MoleculeThe Journal of Chemical Physics, 1965
- Some Triplet States of the Hydrogen MoleculeThe Journal of Chemical Physics, 1965
- Accurate Adiabatic Treatment of the Ground State of the Hydrogen MoleculeThe Journal of Chemical Physics, 1964
- The molecular spectrum of hydrogen and its isotopesJournal of Molecular Spectroscopy, 1958