Publications of Tiago Leyser da Costa Gouveia

Leyser da Costa Gouveia, T.; Maganas, D.; Neese, F.: General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers. The Journal of Physical Chemistry A 129 (1), pp. 330 - 345 (2025)

Leyser da Costa Gouveia, T.; Maganas, D.; Neese, F.: Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The Journal of Physical Chemistry A 128 (25), pp. 5041 - 5053 (2024)