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Algebraic models computer routines

The purported ease of calculating various quantities via the algebraic method has been cited throughout this article. As such, this ease of computation deserves further comment and explanation. Therefore, we outline in Section V.C the computer routines used most commonly in the algebraic model. [Pg.626]

Throughout this paper, we have seen that algebraic techniques often provide extremely simple numerical results with small computational effort. This is particularly true in the preliminary phases of one-dimensional calculations, where almost trivial relations can be found for the initial guesses for the algebraic parameters, as shown in Sections II.C.l and III.C.2. However, it is also true that as soon as real calculations of more complex vibrational spectra are requested, the problem of adapting the various algebraic Hamiltonian and transition operators to suitable computer routines must be resolved. The construction of a computer interface between theoretical models and numerical results is absolutely necessary. Nonetheless, it is rather atypical to discuss these problems explicitly in a theoretical paper such as this one. However, the novelty of these methods itself justifies further explanation and comment on the computational procedures required in practical applications. In this section we present only a brief outline of the development of algebraic software in the last few years, as well as the most peculiar situations one expects to encounter. [Pg.638]


See other pages where Algebraic models computer routines is mentioned: [Pg.149]    [Pg.176]    [Pg.462]    [Pg.494]    [Pg.85]    [Pg.51]    [Pg.151]    [Pg.178]    [Pg.252]    [Pg.235]    [Pg.252]    [Pg.527]    [Pg.638]    [Pg.640]    [Pg.37]    [Pg.613]   
See also in sourсe #XX -- [ Pg.638 , Pg.639 , Pg.640 , Pg.641 , Pg.642 , Pg.643 ]




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