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

Chen A, Benoit DM, Scribano Y, Nauts A, Lauvergnat D.

DOI: 10.1021/acs.jctc.2c00108
Published: 2022-05-18
Container: J Chem Theory Comput
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.2c00108,
  title = {Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.},
  author = {Chen A and  Benoit DM and  Scribano Y and  Nauts A and  Lauvergnat D.},
  year = {2022},
  journal = {J Chem Theory Comput},
  doi = {10.1021/acs.jctc.2c00108},
  url = {https://doi.org/10.1021/acs.jctc.2c00108}
}

RIS

TY  - JOUR
TI  - Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.
AU  - Chen A
AU  -  Benoit DM
AU  -  Scribano Y
AU  -  Nauts A
AU  -  Lauvergnat D.
PY  - 2022
JO  - J Chem Theory Comput
DO  - 10.1021/acs.jctc.2c00108
UR  - https://doi.org/10.1021/acs.jctc.2c00108
ER  -

APA

A, C., DM, B., Y, S., A, N., & D., L. (2022). Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.. J Chem Theory Comput. https://doi.org/10.1021/acs.jctc.2c00108

Source records

europe-pmc · retrieved 2026-09-27T11:25:17.203Z
hal · retrieved 2026-09-27T11:25:17.242Z