An improved SCPF scheme for polarization
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Grzegorz Mazur
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Article
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2008
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John Wiley and Sons
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English
β 85 KB
## Abstract Convergence of the SelfβConsistent Polarization Field (SCPF) method of polarization energy calculations for organic molecular materials is analysed. Use of the Conjugate Gradients method for solving the SCPF equations is proposed. Efficiency of both the original and the newly proposed a