Quantum chemistry by random walk: Higher accuracy for H+3
- 1 March 1992
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (5) , 3702-3706
- https://doi.org/10.1063/1.461924
Abstract
An improved quantum Monte Carlo calculation for the ground state of the molecular ion H+3 gives higher accuracies than previously attained. The nonrelativistic electronic energy for the equilateral triangle configuration of side length 1.6500 bohrs is found to be −1.343 835±0.000 001 hartrees.Keywords
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