Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5)

Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5)

The structure and vibrational motion of the protonated water clusters (H2O)nH+ (n=1-5) were studied using the OSS3 interaction potential and the diffusion Monte Carlo (DMC) method. The aim was to simulate their ground state eigenfunctions. An attempt was also made to compute the ground state energy...

Полное описание

Библиографические подробности
Главные авторы:	Mella, M, Clary, D
Формат:	Journal article
Язык:	English
Опубликовано:	2003

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