Electronic spectroscopy and electronic structure of diatomic TiFe

A benchmark quantum Monte Carlo study of the ground state chromium dimer

(2011) Kenta Hongo et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer

(2011) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

The electronic structure of Ti2 and Ti2+

(2011) Apostolos Kalemos et al.   JOURNAL OF CHEMICAL PHYSICS

Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr2Potential Energy Surface

(2011) Fernando Ruipérez et al.   Journal of Chemical Theory and Computation

The Sc2 dimer revisited

(2010) Apostolos Kalemos et al.   JOURNAL OF CHEMICAL PHYSICS

Analysing the chromium–chromium multiple bonds using multiconfigurational quantum chemistry

(2009) Marcin Brynda et al.   CHEMICAL PHYSICS LETTERS

BS DFT and BS HDFT studies of CrCr sextuple bond from the viewpoint of electron correlation effects

(2009) Yasutaka Kitagawa et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Large-Scale Parallel Uncontracted Multireference-Averaged Quadratic Coupled Cluster: The Ground State of the Chromium Dimer Revisited†

(2009) Thomas Müller   JOURNAL OF PHYSICAL CHEMISTRY A

First principles study of the electronic structure and bonding of Mn2

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