J. Espinosa-García, M. Monge-Palacios, J. Corchado
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Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems
Different methods of constructing potential energy surfaces in polyatomic systems are reviewed, with the emphasis put on fitting, interpolation, and analytical (defined by functional forms) approaches, based on quantum chemistry electronic structure calculations. The different approaches are reviewed first, followed by a comparison using the benchmark H
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