Marcos Casanova‐Páez

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

Marcos Casanova‐Páez, Michael B. Dardis, Lars Goerigk · Journal of Chemical Theory and Computation · 2019 · 164 citations

Excited State Property, Localized Excited State, Engineering +14

Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?

Nisha Mehta, Marcos Casanova‐Páez, Lars Goerigk · Physical Chemistry Chemical Physics · 2018 · 158 citations

Chemical Engineering, Density Estimation, Engineering +14

Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet–Singlet and Singlet–Triplet Excitation Energies

Marcos Casanova‐Páez, Lars Goerigk · Journal of Chemical Theory and Computation · 2021 · 135 citations

The Trip to the Density Functional Theory Zoo Continues: Making a Case for Time-Dependent Double Hybrids for Excited-State Problems*

Lars Goerigk, Marcos Casanova‐Páez · Australian Journal of Chemistry · 2020 · 64 citations · Full text

Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

Asim Najibi, Marcos Casanova‐Páez, Lars Goerigk · The Journal of Physical Chemistry A · 2021 · 46 citations