Efficient Algorithms for Analytical Gradients and Nonadiabatic Couplings of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory
- DOI
- 10.1021/acs.jctc.6c00565
- Published
- 2026-07-20
- Container
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.6c00565,
title = {Efficient Algorithms
for Analytical Gradients and
Nonadiabatic Couplings of Second-Order Extended Multiconfiguration
Quasi-Degenerate Perturbation Theory},
author = {Yurii V. Bruyakin and Vladimir E. Bochenkov and Anastasia V. Bochenkova},
year = {2026},
journal = {Journal of Chemical Theory
and Computation},
doi = {10.1021/acs.jctc.6c00565},
url = {https://doi.org/10.1021/acs.jctc.6c00565}
}RIS
TY - JOUR TI - Efficient Algorithms for Analytical Gradients and Nonadiabatic Couplings of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory AU - Yurii V. Bruyakin AU - Vladimir E. Bochenkov AU - Anastasia V. Bochenkova PY - 2026 JO - Journal of Chemical Theory and Computation DO - 10.1021/acs.jctc.6c00565 UR - https://doi.org/10.1021/acs.jctc.6c00565 ER -
APA
Bruyakin, Y. V., Bochenkov, V. E., & Bochenkova, A. V. (2026). Efficient Algorithms for Analytical Gradients and Nonadiabatic Couplings of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00565
Source records
- crossref · retrieved 2026-11-10T10:21:10.896Z