TY - JOUR AU - Knecht, Stefan AU - HedegÄrd, Erik Donovan AU - Keller, Sebastian AU - Kovyrshin, Arseny AU - Ma, Yingjin AU - Muolo, Andrea AU - Stein, Christopher J. AU - Reiher, Markus PY - 2016/04/27 Y2 - 2024/03/29 TI - New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation JF - CHIMIA JA - Chimia VL - 70 IS - 4 SE - Scientific Articles DO - 10.2533/chimia.2016.244 UR - https://www.chimia.ch/chimia/article/view/2016_244 SP - 244 AB - Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our new computational toolbox which implements the quantum chemical density matrix renormalization group in a second-generation algorithm. We present an overview of the different components of this toolbox. ER -