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Mathematical Tools Applied to High-Resolution Molecular Spectroscopy
Free accessBASE | 2016|Keywords: Applied computer science -
Symmetry and the Entangled Ro-Vibrational Quantum States of a Fluxional Molecule
Free accessBASE | 2016|Keywords: Applied computer science -
Sparse Grids and the Hierarchical Expansion of the Kinetic Energy Operator for the Anharmonic Vibrational Problem
Free accessBASE | 2016|Keywords: Applied computer science -
Block-Sparse Tensor Algebra for Electronic Structure of Large Molecules
Free accessBASE | 2016|Keywords: Applied computer science -
Time-Sliced Thawed Gaussian Propagation for Simulations of Quantum Dynamics
Free accessBASE | 2016|Keywords: Applied computer science -
Calculating Vibrational Spectra with Symmetrized Sum-of-Product Basis Functions
Free accessBASE | 2016|Keywords: Applied computer science -
Using Contracted Basis Functions and the Lanczos Algorithm to Compute Spectra of Flexible Van der Waals Dimers
Free accessBASE | 2016|Keywords: Applied computer science -
Hierarchical Tensor Decompositions: A Tool for Computing Energy Levels of Molecules with More than 6 Atoms
Free accessBASE | 2016|Keywords: Applied computer science -
Tensor Decomposition in Vibrational Coupled Cluster Response Theory
Free accessBASE | 2016|Keywords: Applied computer science
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