Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials

Efficient implementation of effective core potential integrals and gradients on graphical processing units

(2015) Chenchen Song et al.   JOURNAL OF CHEMICAL PHYSICS

Automated Code Engine for Graphical Processing Units: Application to the Effective Core Potential Integrals and Gradients

(2015) Chenchen Song et al.   Journal of Chemical Theory and Computation

Validation of Methods for Computational Catalyst Design: Geometries, Structures, and Energies of Neutral and Charged Silver Clusters

(2015) Kaining Duanmu et al.   Journal of Physical Chemistry C

Relativistic and quantum electrodynamic effects in superheavy elements

(2015) Peter Schwerdtfeger et al.   NUCLEAR PHYSICS A

Exchange–Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its Gradient

(2012) Roberto Peverati et al.   Journal of Chemical Theory and Computation

The Physics behind Chemistry and the Periodic Table

(2011) Pekka Pyykkö   CHEMICAL REVIEWS

Performance of Relativistic Effective Core Potentials in DFT Calculations on Actinide Compounds

(2009) Samuel O. Odoh et al.   JOURNAL OF PHYSICAL CHEMISTRY A