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Manuscript Title: PERTURB: a program for calculating vibrational energies by
generalized algebraic quantization. | ||

Authors: L.E. Fried, G.S. Ezra | ||

Program title: PERTURB | ||

Catalogue identifier: ABDN_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 51(1988)103 | ||

Programming language: C. | ||

Computer: IBM 3090. | ||

Operating system: IBM 3090, PRIME 9955, GOULD 9050, IBM PC. | ||

RAM: 350K words | ||

Word size: 8 | ||

Keywords: Molecular, Vibrations, Generalized algebraic Quantization, Semiclassical Quantization, Perturbation theory. | ||

Classification: 16.3. | ||

Nature of problem:PERTURB calculates energy eigenvalues for a set of coupled harmonic oscillators. | ||

Solution method:Generalized Algebraic Quantization, a perturbative technique allowing expansions in h. | ||

Restrictions:There is no pre-set limit on the size of the problem, although the computer time required increases rapidly with the number of degrees of freedom. |

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