Abstract
A computationally efficient semi-empirical effective Hamiltonian method1–3 for treating molecular clusters was recently developed. This treatment led to reliable intermolecular binding energies and electronic properties for hydrogen-bonded water clusters in agreement with ab initio calculations4, while other semi-empirical theories failed.5
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© 1987 Plenum Press, New York
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Hagen, D.E., Jin, L., Choe, M.S., Lutrus, C.K., Oshiro, T., Suck Salk, S.H. (1987). Electronic Properties of Water Clusters by an Effective Hamiltonian Treatment. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_57
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DOI: https://doi.org/10.1007/978-1-4757-0357-3_57
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