Quantum effects on the structure and ene
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Régis Pomès; Benoît Roux
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Article
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1995
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Elsevier Science
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English
⚖ 646 KB
Computer simulations of a protonated, linear cluster of four hydrogen-bonded water molecules, (O4H9) +, are reported. The potential energy surface governing the motion of the nuclei was described with the polarization model of Stillinger and co-workers. The quantization of all the hydrogen nuclei wa