q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.

Bädorf B, Müller M, Froitzheim T, Grimme S

Open source

DOI
10.1063/5.0345149
Published
2026 Aug 7
Container
The Journal of chemical physics
Publisher
Not recorded
Open access
no

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BibTeX

@article{allodium:10.1063/5.0345149,
  title = {q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.},
  author = {Bädorf B and Müller M and Froitzheim T and Grimme S},
  year = {2026},
  journal = {The Journal of chemical physics},
  doi = {10.1063/5.0345149},
  url = {https://doi.org/10.1063/5.0345149}
}

RIS

TY  - JOUR
TI  - q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.
AU  - Bädorf B
AU  - Müller M
AU  - Froitzheim T
AU  - Grimme S
PY  - 2026
JO  - The Journal of chemical physics
DO  - 10.1063/5.0345149
UR  - https://doi.org/10.1063/5.0345149
ER  - 

APA

B, B., M, M., T, F., & S, G. (2026). q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.. The Journal of chemical physics. https://doi.org/10.1063/5.0345149

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