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

Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities

(2010) Takashi Tsuchimochi et al.   JOURNAL OF CHEMICAL PHYSICS

Random number generators tested on quantum Monte Carlo simulations

(2010) Kenta Hongo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

(2009) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

QWalk: A quantum Monte Carlo program for electronic structure

(2009) Lucas K. Wagner et al.   JOURNAL OF COMPUTATIONAL PHYSICS

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

Continuum variational and diffusion quantum Monte Carlo calculations

(2009) R J Needs et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Spin polarization effect for Cr2molecule

(2008) Yan Shi-Ying   Chinese Physics B

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations

(2008) M. Burkatzki et al.   JOURNAL OF CHEMICAL PHYSICS