Density functional method based on wavelets for quantum classical systems
Chuev, G N and Fedorov, M V (2004) Density functional method based on wavelets for quantum classical systems. International Journal of Quantum Chemistry, 100 (4). pp. 539-547. ISSN 0020-7608 (https://doi.org/10.1002/qua.20128)
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Discrete wavelets are applied to calculate distribution functions of quantum classical system treated by the density functional method. The Coifman basis set is used for approximating the correlation functions and the minimization of the free energy functional of the system. The scheme is applied to calculate properties of coupled hydrated electrons. The quality of approximation is verified by calculations of the solvation energy of the single hydrated electron and bipolaron. (C) 2004 Wiley Periodicals, Inc.
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Item type: Article ID code: 35690 Dates: DateEvent15 November 2004PublishedSubjects: Science > Physics Department: Faculty of Science > Physics Depositing user: Pure Administrator Date deposited: 08 Nov 2011 15:12 Last modified: 08 Apr 2024 19:40 URI: https://strathprints.strath.ac.uk/id/eprint/35690