CALCULATIONS OF THE TUNNELING SPLITTINGS IN WATER DIMER AND TRIMER USING DIFFUSION MONTE-CARLO

CALCULATIONS OF THE TUNNELING SPLITTINGS IN WATER DIMER AND TRIMER USING DIFFUSION MONTE-CARLO

The diffusion Monte Carlo (DMC) method is used to calculate rovibrational bound states of the water dimer and trimer. The rigid body form of DMC is employed, together with correlated sampling of energy differences between states of different symmetry. This allows calculation of the tunneling splitti...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς:	Gregory, J, Clary, D
Μορφή:	Journal article
Έκδοση:	1995

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