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** Classical statistical mechanics **

** Distribution functions statistics **

Derivation of the Boltzmann distribution function is based on statistical mechanical considerations and requires use of Stirling s approximation and Lagrange s method of undetermined multipliers to arrive at the basic equation, (N,/No) = (g/go)exp[-A Ae/]. The exponential term /3 defines the temperature scale of the Boltzmann function and can be shown to equal t/ksT. In classical mechanics, this distribution is defined by giving values for the coordinates and momenta for each particle in three-coordinate space and the lin- [Pg.95]

The approximate solution to the Schrodinger equation, defined by the effective Hamiltonian in Eq. (9-1), with either method described in the previous section, associates to every vector of molecule coordinates, R, together with the solvent-solvent interaction potential, an energy (R). From basic classical statistical mechanics an N-particle distribution function (PDF) n(R) is thus obtained [Pg.231]

** Classical statistical mechanics **

** Distribution functions statistics **

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