Fighting the curse of dimensionality in first-principles semiclassical calculations: Non-local reference states for large number of dimensions
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3664731
Reference94 articles.
1. Multilayer formulation of the multiconfiguration time-dependent Hartree theory
2. Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach
3. Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes
4. Accelerated, energy-conserving Born–Oppenheimer molecular dynamics via Fock matrix extrapolation
5. Higher-order symplectic integration in Born–Oppenheimer molecular dynamics
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