Electronic Properties of Water Clusters by an Effective Hamiltonian Treatment

Autor:	S. H. Suck Salk, Donald E. Hagen, C. K. Lutrus, L. Jin, M. S. Choe, T. Oshiro
Rok vydání:	1987
Předmět:	Physics Computational chemistry Intermolecular force Binding energy Cluster size Ab initio Water cluster Ionization energy Molecular physics Hamiltonian (control theory) Electronic properties
Zdroj:	Physics and Chemistry of Small Clusters ISBN: 9781475703597
DOI:	10.1007/978-1-4757-0357-3_57
Popis:	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
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9110f76061af6299c529e94656bc1090 https://doi.org/10.1007/978-1-4757-0357-3_57 Zobrazit plný text záznamu