%0 Journal Article %1 kreplin2019secondorder %A Kreplin, David A. %A Knowles, Peter J. %A Werner, Hans-Joachim %D 2019 %I American Institute of Physics %J Journal of Chemical Physics %K %N 19 %P 194106 %R 10.1063/1.5094644 %T Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence %V 150

@article{kreplin2019secondorder, added-at = {2023-08-31T14:59:57.000+0200}, affiliation = {Kreplin, DA (Reprint Author), Univ Stuttgart, Inst Theoret Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Kreplin, David A.; Werner, Hans-Joachim, Univ Stuttgart, Inst Theoret Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Knowles, Peter J., Cardiff Univ, Sch Chem, Main Bldg,Pk Pl, Cardiff CF10 3AT, S Glam, Wales.}, author = {Kreplin, David A. and Knowles, Peter J. and Werner, Hans-Joachim}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2d9647bc8352d5be5ee03db03064ba966/puma-wartung}, doi = {10.1063/1.5094644}, interhash = {a711a62bd45c03cd0cfaaf31fa535284}, intrahash = {d9647bc8352d5be5ee03db03064ba966}, issn = {{70021-9606} and {1089-7690}}, journal = {Journal of Chemical Physics}, keywords = {}, language = {eng}, number = 19, orcid-numbers = {Werner, Hans-Joachim/0000-0002-0435-539X}, pages = 194106, publisher = {American Institute of Physics}, research-areas = {Chemistry; Physics}, researcherid-numbers = {Werner, Hans-Joachim/G-9509-2011}, timestamp = {2023-08-31T12:59:57.000+0200}, title = {Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence}, unique-id = {ISI:000473298900009}, volume = 150, year = 2019 }