12 results on '"Avila, Gustavo"'
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2. Full-dimensional (12D) variational vibrational states of CH4·F−: Interplay of anharmonicity and tunneling
3. Toward breaking the curse of dimensionality in (ro)vibrational computations of molecular systems with multiple large-amplitude motions
4. Computing vibrational energy levels of CH4with a Smolyak collocation method
5. Reducing the cost of using collocation to compute vibrational energy levels: Results for CH2NH
6. A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra
7. Using multi-dimensional Smolyak interpolation to make a sum-of-products potential
8. Solving the Schroedinger equation using Smolyak interpolants
9. Solving the vibrational Schrödinger equation using bases pruned to include strongly coupled functions and compatible quadratures
10. Using a pruned basis, a non-product quadrature grid, and the exact Watson normal-coordinate kinetic energy operator to solve the vibrational Schrödinger equation for C2H4
11. Using nonproduct quadrature grids to solve the vibrational Schrödinger equation in 12D
12. Nonproduct quadrature grids for solving the vibrational Schrödinger equation
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