Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure. - Alexander Baldes; Wim Klopper; Ján Simunek; Jozef Noga; Florian Weigend (J. Comput. Chem., 2011)

Is It Worth Running the Hartree-Fock Calculations With Localized Molecular Orbitals Within the Framework of Variational Coupled Cluster Singles Theory? - Ján Simunek; Jozef Noga (J. Comput. Chem., 2025)