Birs- 13w5018: Mathematical Methods in Quantum Molecular Dynamics
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Title: Basis sets of trajectory guided Gaussians for efficient and accurate multidimensional quantum dy- namics
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Title: Using time–dependent Gaussian basis sets in quantum dynamics simulations
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Title: Exact 6d quantum vibrational calculation of three isomers of H2CO using a new accurate ab initio potential energy surface
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Title: Emergence of exponentially accurate reflected or tunneling semiclassical wave packets
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Title: POTFIT and Multigrid POTFIT. Transforming general multi-potential energy surfaces to product form. Applications to H3O2-.
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Title: Multilayer Multiconfiguration Time–Dependent Hartree Theory
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Title: MULTIMODE and n–mode strategies for vibrational dynamics in high dimensionality
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Title: Computing vibrational states of CO on metal substrates
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Title: Tensor decomposition and coupled cluster theory in the context of quantum molecular dynamics
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Title: Potential energy surfaces and quantum reactive scattering
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Title: Enabling Quantum dynamics with or without Potential Energy Surfaces by removing extra fitting
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Title: Solving the Schrodinger equation using Smolyak interpolants
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