Marcos Casanova-Páez

7PUBLICATIONS
4CO-AUTHORS
Radiation and matterComputational chemistryTheoretical quantum chemistry
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Publications (7)

|Jan 28, 2025
Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory.

Marcos Casanova-Páez, Frank Neese

|Oct 14, 2024
Assessment of the similarity-transformed equation of motion (STEOM) for open-shell organic and transition metal molecules.

Marcos Casanova-Páez, Frank Neese

|Mar 01, 2023
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations.

Joshua Van Dijk, Marcos Casanova-Páez, Lars Goerigk

|Jul 22, 2021
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

|May 03, 2021
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

|Jan 08, 2021
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states".

Marcos Casanova-Páez, Lars Goerigk

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Frequent Collaborators

5 joint publications

Lars Goerigk

2 joint publications

Frank Neese

1 joint publications

Michael B Dardis

1 joint publications

Asim Najibi