Path-integral Monte Carlo with a first-principles hindered-rotor potential reproduces the equation of state of solid parahydrogen and predicts its vibrational matrix shift to 8 percent accuracy.
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Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
Path-integral Monte Carlo with a first-principles hindered-rotor potential reproduces the equation of state of solid parahydrogen and predicts its vibrational matrix shift to 8 percent accuracy.