'Divide-and-conquer' semiclassical molecular dynamics: An application to water clusters
作者： Giovanni Di Liberto , Riccardo Conte , Michele Ceotto
DOI: 10.1063/1.5023155
关键词: Potential energy surface 、 Degrees of freedom (physics and chemistry) 、 Propagator 、 Physics 、 Molecular dynamics 、 Ab initio 、 Projection (linear algebra) 、 Quantum mechanics 、 Semiclassical physics 、 Water dimer
摘要: We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Liberto…
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