Ab initio spin-orbit calculations on the lowest states of the nickel dimer

Transition metals compounds: Outstanding challenges for multiconfigurational methods

(2011) K. Pierloot   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Precise ab initio calculations of the 3d transition-metal clusters: Sc2

(2011) Ilya G. Kaplan et al.   AIP Advances

Electronic structure and spin coupling of the manganese dimer: The state of the art of ab initio approach

(2010) Alexei A. Buchachenko et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference averaged quadratic coupled-cluster (MR-AQCC) method based on the functional of the total energy

(2008) Péter G. Szalay   CHEMICAL PHYSICS

Ab initio interaction potential of the spin-polarized manganese dimer

(2008) A.A. Buchachenko   CHEMICAL PHYSICS LETTERS

An ab initio multireference perturbation theory study on the manganese dimer

(2008) Celestino Angeli et al.   JOURNAL OF CHEMICAL PHYSICS

First principles study of the electronic structure and bonding of Mn2

(2008) Demeter Tzeli et al.   JOURNAL OF CHEMICAL PHYSICS