Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states.
- DOI
- 10.1063/5.0159493
- Published
- 2023 Oct 14
- Container
- The Journal of chemical physics
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1063/5.0159493,
title = {Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states.},
author = {Ferté A and Giner E and Taïeb R and Carniato S},
year = {2023},
journal = {The Journal of chemical physics},
doi = {10.1063/5.0159493},
url = {https://doi.org/10.1063/5.0159493}
}RIS
TY - JOUR TI - Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states. AU - Ferté A AU - Giner E AU - Taïeb R AU - Carniato S PY - 2023 JO - The Journal of chemical physics DO - 10.1063/5.0159493 UR - https://doi.org/10.1063/5.0159493 ER -
APA
A, F., E, G., R, T., & S, C. (2023). Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states.. The Journal of chemical physics. https://doi.org/10.1063/5.0159493
Source records
- pubmed · retrieved 2026-09-27T12:17:58.203Z