Computer programs CAVEAT

Lauri G and P A Bartlett 1994. CAVEAT - A Program to Facilitate the Design of Organic Molecules Journal of Computer-Aided Molecular Design 8 51-66. 

Lanri G, Bartlett PA. CAVEAT A program to facilitate the design of organic molecnles. J Comput-Aided Mol Des 1994 8 51-66. 

Why then ever use simple oscillator models For many materials, fits of such models to incomplete data are all that are available for computation. More important, to learn about the connection between spectra and forces, it helps to connect forces with analytic forms of the dielectric function. Although the forms themselves are approximate, they present a familiar language in which ever-more-detailed spectral information can be intuitively expressed. All of this goes with the caveat that these models allow only relatively crude estimates of the magnitudes and directions of the forces. In this spirit, this section tabulates parameters for e(if) and presents some elementary programs. 

Before going further, we offer some important caveats about the results obtainable. First, this chapter does not encompass every conceivable computational chemistry program. Thousands of programs are now in use, and it is impractical to track every one. An attempt is made to cover programs many readers would find of most interest. In the future, additional programs of interest can be covered. 

G. Lauri and P. A. Bartlett, /. Comput.-Aided Mol. Design, 8, 51 (1994). CAVEAT A Program to Facilitate the Design of Organic. Molecules. 

Lauri, G. and Bartlett, P.A. (1994) CAVEAT a program to facilitate the design of organic molecules. Journal of Computer-Aided Molecular Design, 8, 51-66. 

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