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Quantum Monte Carlo calculations of the potential energy curve of the helium dimer

✍ Scribed by Springall, R.; Per, M. C.; Russo, S. P.; Snook, I. K.

Book ID
126163247
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
249 KB
Volume
128
Category
Article
ISSN
0021-9606

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The Mg ionization potential was computed using quantum Monte Carlo simulations with localized effective potentials replacing the core electrons. It was found that good agreement with the experimental value (0.2814(3) au versus 0.2810 experimental) could be obtained when two configurations (3s' and 3