Dimitrios G Liakos

Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.

Dimitrios G Liakos, Frank Neese, F. Neese, 2015, Journal of chemical theory and computation.

Domain Based Pair Natural Orbital Coupled Cluster Studies on Linear and Folded Alkane Chains.

Dimitrios G Liakos, Frank Neese, F. Neese, 2015, Journal of chemical theory and computation.

Improved correlation energy extrapolation schemes based on local pair natural orbital methods.

Dimitrios G Liakos, Frank Neese, F. Neese, 2012, The journal of physical chemistry. A.

Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis.

Dimitrios G Liakos, Frank Neese, Andreas Hansen, 2009, The Journal of chemical physics.

Protein-ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methods.

Dimitrios G Liakos, Frank Neese, Stefan Grimme, 2011, The journal of physical chemistry. A.

Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods.

Dimitrios G Liakos, Frank Neese, Andreas Hansen, 2011, Journal of chemical theory and computation.