ωB2PLYP and ωB2GPPLYP: the first two double-hybrid density functionals with long-range correction optimized for excitation energies

M Casanova-Páez, MB Dardis… - Journal of chemical …, 2019 - ACS Publications
Double-hybrid density functionals are currently the most accurate density functionals for
ground-state properties and electronic excitations. Nevertheless, the lack of a long-range …

ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies.

M Casanova-Páez, MB Dardis… - Journal of Chemical …, 2019 - europepmc.org
Double-hybrid density functionals are currently the most accurate density functionals for
ground-state properties and electronic excitations. Nevertheless, the lack of a long-range …

ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies

M Casanova-Páez, MB Dardis… - Journal of chemical …, 2019 - pubmed.ncbi.nlm.nih.gov
Double-hybrid density functionals are currently the most accurate density functionals for
ground-state properties and electronic excitations. Nevertheless, the lack of a long-range …

[引用][C] ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies

M Casanova-Páez, MB Dardis, L Goerigk - Journal of Chemical Theory …, 2019 - cir.nii.ac.jp
ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range
Correction Optimized for Excitation Energies | CiNii Research CiNii 国立情報学研究所 学術 …