Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme

von Hrdá, Marcela
Veröffentlicht in: Journal of computational chemistry (2014)

Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure

von Baldes, Alexander
Veröffentlicht in: Journal of computational chemistry (2011)

Convergence of third order correlation energy in atoms and molecules

von Kahn, Kalju
Veröffentlicht in: Journal of computational chemistry (2007)