Dimitrios G. Liakos

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

Yang Guo, Christoph Riplinger, Ute Becker et al. · The Journal of Chemical Physics · 2018 · 762 citations · Full text

Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

Dimitrios G. Liakos, Manuel Sparta, Manoj K. Kesharwani et al. · Journal of Chemical Theory and Computation · 2015 · 711 citations

Cluster Science, Engineering, Physics +15

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

Frank Neese, Andreas Hansen, Dimitrios G. Liakos · The Journal of Chemical Physics · 2009 · 621 citations

Numerical Analysis, Cluster Science, Engineering +15

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 · Journal of Chemical Theory and Computation · 2015 · 317 citations

Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems

Dimitrios G. Liakos, Yang Guo, Frank Neese · The Journal of Physical Chemistry A · 2019 · 297 citations · Full text

Numerical Analysis, Engineering, Open-shell Systems +17