caspt2

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romz-pl / Roos-Bjorn-Olof-bibliography

Bibliography of publications by Swedish quantum chemist Björn Olof Roos (1937–2010), creator of CASSCF, CASPT2, and the MOLCAS software. Includes a short biography and about 300 journal articles, book chapters, and reviews from 1966 to 2016, grouped by year.

computational-chemistry computational-physics quantum-chemistry ab-initio electronic-structure lund-university basis-sets theoretical-chemistry casscf molcas multiconfigurational-methods caspt2

Updated Nov 3, 2026

romz-pl / OpenMolcas-bibliography

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A curated, year-sorted bibliography of research papers, books and theses on OpenMolcas and the multiconfigurational quantum chemistry methods behind it, such as CASSCF, CASPT2 and RASSI (1950–2026).

quantum-chemistry quantum-chemistry-programs quantum-chemistry-methods quantum-chemistry-simulation casscf molcas openmolcas multiconfigurational-methods caspt2

Updated Nov 4, 2026

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