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Non-Born-Oppenheimer diffusion Monte Carlo calculations of solid molecular and atomic hydrogen
Non-Born-Oppenheimer diffusion Monte Carlo calculations of solid molecular and atomic hydrogen
2017
Yubo Yang
Norm M. Tubman
David M. Ceperley
Keywords:
Dynamic Monte Carlo method
Computational chemistry
Hydrogen
Diffusion Monte Carlo
Born–Oppenheimer approximation
Chemistry
Molecular physics
Physics
Correction
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