Smolyak Algorithm Adapted to a System–Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions-Reference-Cited by-同舟云学术

Smolyak Algorithm Adapted to a System–Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions

Author:

Chen Ahai¹²^ORCID,Benoit David M.³^ORCID,Scribano Yohann⁴^ORCID,Nauts André²⁵,Lauvergnat David²^ORCID

Affiliation:

1. Maison de la Simulation, UVSQ, CNRS, CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette, France

2. Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France

3. E.A. Milne Centre for Astrophysics, The University of Hull, Cottingham Road, Kingston upon Hull HU6 7RX, U.K.

4. Laboratoire Univers et Particules de Montpellier, UMR-CNRS 5299, Université de Montpellier, 34095 Montpellier Cedex, France

5. Institute of Condensed Matter and Nanosciences (NAPS), Université Catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

Funder

H2020 Research Infrastructures

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference53 articles.

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