@article {4442,
	title = {An investigation of dynamical density functional theory for solvation in simple mixtures},
	journal = {Journal of Chemical Physics},
	volume = {108},
	number = {15},
	year = {1998},
	note = {ISI Document Delivery No.: ZH114Times Cited: 27Cited Reference Count: 48},
	month = {Apr},
	pages = {6378-6386},
	type = {Article},
	abstract = {Linear and nonlinear versions of time dependent density functional theory are solved for a single solute particle in a simple binary solvent. All particles interact with Lennard-Jones potentials. The theoretical results are compared with molecular dynamics calculations. It is shown that the nonlinear theory is necessary in order to obtain a good quantitative description of selective solvation dynamics. The linear theory is only of qualitative value. Also, attention is drawn to a previously little appreciated problem which arises when one attempts to compare time dependent density functional theory with computer simulation or experimental results. The difficulty involves matching the theoretical and absolute time scales and is discussed in detail in this paper. (C) 1998 American Institute of Physics. [S0021-9606(98)50615-0].},
	keywords = {BINARY DIPOLAR LIQUIDS, COLLECTIVE ORIENTATIONAL RELAXATION, density, DIELECTRIC-RELAXATION, ELECTROLYTE-SOLUTIONS, ION SOLVATION, MOLECULAR THEORY, NONPOLAR SOLVATION, NUMBER, POLAR, SURROGATE HAMILTONIAN DESCRIPTION},
	isbn = {0021-9606},
	url = {<Go to ISI>://000073073700034},
	author = {Yoshimori, A. and Day, T. J. F. and Patey, G. N.}
}
@article {2748,
	title = {DIELECTRIC-RELAXATION OF DIPOLAR LIQUIDS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {3},
	year = {1993},
	note = {ISI Document Delivery No.: LN782Times Cited: 19Cited Reference Count: 33},
	month = {Aug},
	pages = {2068-2073},
	type = {Article},
	abstract = {An approximate expression is derived for the dielectric function epsilon(k, omega). The theory includes inertial and non-Markovian effects and is free of adjustable parameters. For the k = 0 case, detailed comparisons are made with computer simulation results for dipolar soft-sphere and Stockmayer fluids, and the theory is shown to be qualitatively sound at both low and high frequencies. The present approximation should be very useful in developing a theory of solvation dynamics which properly includes important inertial effects.},
	keywords = {COMPUTER-SIMULATION, electrostatic, equation, INVARIANT EXPANSION, ION SOLVATION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR LIQUIDS, ORNSTEIN-ZERNIKE, PERIODIC BOUNDARY-CONDITIONS, POLAR, SOLVATION DYNAMICS, SYSTEMS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LN78200067},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {2747,
	title = {MICROSCOPIC THEORY OF SOLVATION DYNAMICS IN DIPOLAR LIQUIDS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {7},
	year = {1993},
	note = {ISI Document Delivery No.: LY603Times Cited: 48Cited Reference Count: 27},
	month = {Oct},
	pages = {4926-4931},
	type = {Article},
	abstract = {A self contained microscopic theory is described for ion solvation dynamics in dipolar fluids. The theory takes account of inertial and non-Markovian effects which are of critical importance for the fast initial phase of the relaxation of the ion-solvent energy. The theory also includes diffusional effects important at long times. The results obtained are shown to be in good agreement with recent computer simulation studies of ions in Stockmayer solvents.},
	keywords = {COMPUTER-SIMULATION, DIELECTRIC-CONSTANT, ELECTROSTATIC SYSTEMS, FLUID, ION SOLVATION, MOLECULAR LIQUIDS, PERIODIC BOUNDARY-CONDITIONS, relaxation, SOLVENT},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LY60300004},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
