“Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
Author:
Affiliation:
1. Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy
Funder
H2020 European Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5010388
Reference120 articles.
1. Variational quantum approaches for computing vibrational energies of polyatomic molecules
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4. Solving the vibrational Schrödinger equation using bases pruned to include strongly coupled functions and compatible quadratures
5. Using Nested Contractions and a Hierarchical Tensor Format To Compute Vibrational Spectra of Molecules with Seven Atoms
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