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...

書誌詳細
主要な著者:	Mella, M, Clary, D
フォーマット:	Journal article
言語:	English
出版事項:	2003

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