Molekulare Theorie und Spektroskopie

Publikationen von Marcos Casanova-Páez

Zeitschriftenartikel (2)

2025
Zeitschriftenartikel
Casanova-Páez, M.; Neese, F. Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory. Journal of Chemical Theory and Computation 2025, 21, 1306–1321.
2024
Zeitschriftenartikel
Casanova-Páez, M.; Neese, F. Assessment of the similarity-transformed equation of motion (STEOM) for open-shell organic and transition metal molecules. The Journal of Chemical Physics 2024, 161, 144120.
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