A toolchain for the automatic generation of computer codes for correlated wavefunction calculations. - Martin Krupicka; Kantharuban Sivalingam; Lee Huntington; Alexander A. Auer; Frank Neese (J. Comput. Chem., 2017)

A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. - Christian Kollmar; Kantharuban Sivalingam; Benjamin Helmich-Paris; Celestino Angeli; Frank Neese (J. Comput. Chem., 2019)