Improved Nonadiabatic Ground-State Energy Upper Bound for Dihydrogen
- 27 September 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 83 (13) , 2541-2543
- https://doi.org/10.1103/physrevlett.83.2541
Abstract
A new, highly accurate, value for the nonadiabatic energy of the dihydrogen ground state is reported, ( hartree). The calculations were performed with a direct nonadiabatic variational approach using a new correlated Gaussian basis set including powers of the internuclear distance.
Keywords
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