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A Quantum Monte Carlo Study of Molecular Titanium Dihydride
A Quantum Monte Carlo Study of Molecular Titanium Dihydride
2009
Todd D. Beaudet
Jeongnim Kim
Kenneth Esler
Richard M. Martin
Keywords:
Ground state
Dynamic Monte Carlo method
Titanium
Computational chemistry
Monte Carlo molecular modeling
Quantum Monte Carlo
Diffusion Monte Carlo
Molecular orbital
Physics
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