And mathematics

Csizmadia I G, Flarrison M C, Moscowitz J Wand Sutcliffe B T 1966 Commentationes. Non-empirical LCAO-MO-SCF-Cl calculations on organic molecules with Gaussian type functions. Part I. Introductory review and mathematical formalism Theoret. Chim. Acta 6 191-216... [Pg.2195]

A complete and mathematically precise treatment of the subject. Includes topics which are not usually... [Pg.2359]

In quantum theory, physical systems move in vector spaces that are, unlike those in classical physics, essentially complex. This difference has had considerable impact on the status, interpretation, and mathematics of the theory. These aspects will be discussed in this chapter within the general context of simple molecular systems, while concentrating at the same time on instances in which the electronic states of the molecule are exactly or neatly degenerate. It is hoped... [Pg.94]

J. R. Klauder and B.-S. Skagerstam, Coheient States, Applications in Physics and Mathematical Physics, World Scientific, Singapore, 1985. [Pg.248]

A. Neumaier, Molecular modeling of proteins and mathematical prediction of protein structure, SIAM Rev. 39 (1997), 407-460. [Pg.223]

In chemistry, chemical structures have to be represented in machine-readable form by scientific, artificial languages (see Figure 2-2). Four basic approaches are introduced in the following sections trivial nomenclature systematic nomenclature chemical notation and mathematical notation of chemical structures. [Pg.16]

Easy and intuitive data analysis The data analysis process is easy and intuitive, because the pattern recognition only requires the knowledge and intuition of the scientists. DifEcult statistical and mathematical methods are not necessary. [Pg.476]

From what has been said, it is clear that both physical and mathematical aspects of the limiting processes require more careful examination, and we will scare this by examining the relative values of the various diffusion coefficients and the permeability, paying particular attention to their depec dence on pore diamater and pressure. [Pg.37]

We shall treat coupling of modes of motion in some detail because there are fundamental mechanical and mathematical topics involved that will be useful to us in both MM and quantum mechanical calculations. In the tieatment of coupled haiinonic oscillators, matrix diagonalization and normal coordinates are encountered in a simple form. [Pg.131]