期刊
PHYSICAL REVIEW LETTERS
卷 84, 期 18, 页码 4072-4075出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.84.4072
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zWe present the first pair plus three-body potential of water from ab initio calculations that quantitatively reproduces the experimental far-infrared spectra of the water dimer and trimer. The dimer spectrum was obtained from the pair potential through rigorous six-dimensional quantum calculations of the vibration-rotation-tunneling levels. The three-body interactions, together with the pair potential, produce an accurate representation of the hydrogen bond torsional levels of the water trimer.
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