The Molpro quantum chemistry package - Werner, Hans-Joachim; Knowles, Peter J.; Manby, Frederick R.; Black, Joshua A.; Doll, Klaus; Heßelmann, Andreas; Kats, Daniel; Köhn, Andreas; Korona, Tatiana; Kreplin, David A.; Ma, Qianli; Miller, Thomas F.; et al. (The Journal of chemical physics, 2020)
Keywords: Anharmonicity; Chemical Sciences; Correlation; Graphical user interface; Mathematical analysis; or physical chemistry; Quantum chemistry; Theoretical and; Vibrational spectra; Wave functions