Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals.

Mališ M, Luber S

DOI: 10.1021/acs.jctc.5c02066
Published: 2026 Mar 24
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.5c02066,
  title = {Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals.},
  author = {Mališ M and Luber S},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.5c02066},
  url = {https://doi.org/10.1021/acs.jctc.5c02066}
}

RIS

TY  - JOUR
TI  - Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals.
AU  - Mališ M
AU  - Luber S
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.5c02066
UR  - https://doi.org/10.1021/acs.jctc.5c02066
ER  -

APA

M, M., & S, L. (2026). Origin of the Singlet Excited Electronic Energy Shifts in ΔSCF with Fractional Occupation Numbers and Hybrid Density Functionals.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.5c02066

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pubmed · retrieved 2026-11-10T11:52:47.814Z