The present chapter is devoted to explain the generalized Langevin theory and its application to water. The GLT has been originally formulated for a quantum–mechanical system by H. Mori, and it has been reformulated for the classical fluid by H. L. Friedman (Mori in Phys Rev 112:1829, 1958; Mori in Prog Theor Phys (Jpn) 27:427, 1962; Mori in Prog Theor Phys (Jpn) 33:423–455, 1965; Friedman in A course in statistical mechanics. Prentice-Hall, New Jersey, 1985). The theory was applied to the interaction-site model of water by the author in 1992 (Hirata in J Chem Phys 96:4619–4624, 1992).

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Generalized Langevin Theory and Density Fluctuations in Water

  • Fumio Hirata

摘要

The present chapter is devoted to explain the generalized Langevin theory and its application to water. The GLT has been originally formulated for a quantum–mechanical system by H. Mori, and it has been reformulated for the classical fluid by H. L. Friedman (Mori in Phys Rev 112:1829, 1958; Mori in Prog Theor Phys (Jpn) 27:427, 1962; Mori in Prog Theor Phys (Jpn) 33:423–455, 1965; Friedman in A course in statistical mechanics. Prentice-Hall, New Jersey, 1985). The theory was applied to the interaction-site model of water by the author in 1992 (Hirata in J Chem Phys 96:4619–4624, 1992).