Publication: Gauss et al (2023) - Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals

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Publication 1
Title of related publication
Cholesky decomposition of two-electron integrals in quantum-chemical calculations with pertur-bative or finite magnetic fields using gauge-including atomic orbitals
Year of related publication
2023
DOI of related publication (not DOI of data resources)
10.1080/00268976.2022.2101562
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