Volume 59, Issue 2 pp. 109-117
Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Applications of a local grid method for modeling chemical dynamics at a mean-field level

S. Adhikari

S. Adhikari

Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700 032 India

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P. Dutta

P. Dutta

Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700 032 India

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S.P. Bhattacharyya

Corresponding Author

S.P. Bhattacharyya

Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700 032 India

Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700 032 IndiaSearch for more papers by this author

Abstract

A local grid method proposed earlier is used to model chemical dynamical events in more than one dimension. Two different mean-field routes are applied to model problems representing dynamics of isomerization, H+-ion transfer, energy transfer, etc. The methods are seen to work with equal facility for both time-dependent and time-independent potentials. © 1996 John Wiley & Sons, Inc.

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