Publication: Burger et al (2025) - Cholesky decomposition and the second-derivative two-electron integrals required for the computation of magnetizabili-ties using gauge-including atomic orbitals

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Publication 1
Title of related publication
Cholesky decomposition and the second-derivative two-electron integrals required for the computation of magnetizabili-ties using gauge-including atomic orbitals
Year of related publication
2025
DOI of related publication (not DOI of data resources)
10.1021/acs.jpca.4c07421
Funding DFG Project No. 233630050-TRR146
Subproject Project B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
Cooperation partner(s) Johannes Gutenberg University Mainz
Responsible Person's Name (PI) Prof. Dr. Jürgen Gauss
Responsible Person's Email for further data requests gauss@uni-mainz.de
Responsible Person's Affiliation Department of Chemistry, Johannes Gutenberg University Mainz, Germany