We report a detailed observation and theoretical analysis of the double rotational transition S-o(0)+S-o(0) of a molecular pair in liquid hydrogen. The experiment has been performed in a wide density range at constant temperature T=28 K. The density behavior of the integrated intensity has been compared with the results of a theoretical model assuming pairwise additivity of intermolecular potential and polarizability. The calculations have been carried out using quantum-mechanical path-integral Monte Carlo simulations to determine the microscopic structure. The importance of the short-range form of the induced anisotropy is pointed out. A satisfactory agreement is found between theory and experiment.
Density behavior of the double rotational transition in liquid parahydrogen
Ulivi L;Santoro M;
1996
Abstract
We report a detailed observation and theoretical analysis of the double rotational transition S-o(0)+S-o(0) of a molecular pair in liquid hydrogen. The experiment has been performed in a wide density range at constant temperature T=28 K. The density behavior of the integrated intensity has been compared with the results of a theoretical model assuming pairwise additivity of intermolecular potential and polarizability. The calculations have been carried out using quantum-mechanical path-integral Monte Carlo simulations to determine the microscopic structure. The importance of the short-range form of the induced anisotropy is pointed out. A satisfactory agreement is found between theory and experiment.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
