An application of a transcorrelated procedure to the calculation of the energy of the hydrogen molecule
- 1 July 1972
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 24 (1) , 181-203
- https://doi.org/10.1080/00268977200101331
Abstract
The ground-state energy of the hydrogen molecule is calculated using both the standard variational method and a new transcorrelated method. The value obtained with the new method compares favourably with that obtained by the standard method. If the method used in this paper can be extended to more complicated systems, it is expected that it will enable more accurate energies to be calculated for these systems than is possible using the standard variational method.Keywords
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