Contains the keyword wave-functions
High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed? J Chem Phys. 2012;137:214316. Abstract
The dispersion interaction between quantum mechanics and effective fragment potential molecules. J Chem Phys. 2012;136:244107. Abstract
The Range of Electron Correlation between Localized Molecular Orbitals. A Full Configuration Interaction Analysis for the NCCN Molecule. Journal of Physical Chemistry A. 2010;114:8601-12. Abstract
Water-Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study. Journal of Physical Chemistry A. 2009;113:2092-102. Abstract
Optimizing Conical Intersections by Spin-Flip Density Functional Theory: Application to Ethylene. J Phys Chem A. 2009;113:12749-53. Abstract
Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer. J Chem Phys. 2008;128:214308. Abstract
















