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physics.chem-ph2016★ 11 cited
Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo
Sam Azadi, R. E. Cohen
We study the low-pressure (0 to 10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo (QMC) and density functional theory (DFT) methods. We consider the , $P…
physics.chem-ph2015★ 25 cited
Chemical accuracy from quantum Monte Carlo for the Benzene Dimer
Sam Azadi, R. E. Cohen
We report an accurate study of interactions between Benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these…