Birs- 13w5018: Mathematical Methods in Quantum Molecular Dynamics
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Title: Nonadiabatic Dynamics in Open Quantum–Classical Systems
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Title: On the MCTDH method
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Title: On the MCTDH method
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Title: Spontaneous decay of resonant energy levels for molecules with moving nuclei
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Title: On the ANOVA decomposition of high–dimensional functions with applications to chemistry
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Title: Multiconfiguration time–dependent Hartree with variational Gaussian wavepackets: flexible frozen Gaussian–based representations using two (and more) layers
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Title: Multi–layered wavefunction representations and quadratures: the multi–configurational time–depen- dent Hartree approach
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Title: Semiclassical approximations for quantum molecular dynamics: a computational point of view
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Title: Semi–classical models for the Schrödinger equation with periodic potentials and band–crossings
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Title: Using Smolyak grids and bases pruned to include strongly coupled basis functions to solve the vibrational Schroedinger equation in 12–d
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Title: Diffusion Monte Carlo Approaches for studying rotational and vibrational motions of highly anharmonic systems
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Title: Single switch algorithm for molecular dynamics
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Title: Quantum dynamics with sparse grid: a combination of Smolyak scheme and cubature
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Title: Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse
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Title: Dynamics of quantum rotors in complex environments
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Title: Exact Quantum Dynamics Calculations using Phase Space Wavelets
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Title: Using the Initial Value Representation of Semiclassical Theory to Add Quantum Effects to Classical Molecular Dynamics Simulations
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Title: Approximation of the electronic Schr ̈odinger equation by low rank approximation in novel tensor formats
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Title: Multiresolution spectral–element representations of electronic wave functions
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Title: Topological invariants of eigenvalue intersections and decrease of Wannier functions
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