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Structure and vibrational spectroscopy of halide ion hydrates: a study based on genetic algorithm

✍ Scribed by Pinaki Chaudhury; Rajendra Saha; Shankar Prasad Bhattacharyya

Book ID
108429210
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
425 KB
Volume
270
Category
Article
ISSN
0301-0104

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## Abstract In this article, we explore the efficiency of using a coupled genetic algorithm (GA) and density functional theory (DFT) based strategy to evaluate probable structures of (H~2~O)~n~F^βˆ’^ micro‐clusters, with __n__ = 1 βˆ’ 6. We use the stochastic optimization technique of GA to arrive at s