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/content/aip/journal/jcp/141/2/10.1063/1.4887508
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/content/aip/journal/jcp/141/2/10.1063/1.4887508
2014-07-08
2016-10-01

Abstract

We present a potential energy surface fitting scheme based on multiplicative artificial neural networks. It has the sum of products form required for efficient computation of the dynamics of multidimensional quantum systems with the multi configuration time dependent Hartree method. Moreover, it results in analytic potential energy matrix elements when combined with quantum dynamics methods using Gaussian basis functions, eliminating the need for a local harmonic approximation. Scaling behavior with respect to the complexity of the potential as well as the requested accuracy is discussed.

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