Using collocation and a hierarchical basis to solve the vibrational Schrödinger equation
Author:
Affiliation:
1. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5096169
Reference58 articles.
1. The collocation method for bound solutions of the Schrödinger equation
2. The collocation method for calculating vibrational bound states of molecular systems—with application to Ar–HCl
3. A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra
4. Reducing the cost of using collocation to compute vibrational energy levels: Results for CH2NH
5. Computing vibrational energy levels of CH4with a Smolyak collocation method
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1. Using nested tensor train contracted basis functions with group theoretical techniques to compute (ro)-vibrational spectra of molecules with non-Abelian groups;The Journal of Chemical Physics;2024-07-22
2. Using a pruned basis and a sparse collocation grid with more points than basis functions to do efficient and accurate MCTDH calculations with general potential energy surfaces;The Journal of Chemical Physics;2024-06-05
3. A numerical-tensorial “hybrid” nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules;The Journal of Chemical Physics;2023-09-15
4. Smolyak Scheme for solving the Schrödinger equation: Application to Malonaldehyde in Full Dimensionality;ChemPhysChem;2023-09-12
5. Computing vibrational spectra using a new collocation method with a pruned basis and more points than basis functions: Avoiding quadrature;The Journal of Chemical Physics;2023-04-13
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