Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution | Journal of Chemical Theory and Computation
DFT Functionals for Modeling of Polyethylene Chains Cross-Linked by Metal Atoms. DLPNO–CCSD(T) Benchmark Calculations | The Journal of Physical Chemistry A
Incremental CCSD(T)(F12*)|MP2: A Black Box Method To Obtain Highly Accurate Reaction Energies | Journal of Chemical Theory and Computation
A Linear-Scaling Method for Noncovalent Interactions: An Efficient Combination of Absolutely Localized Molecular Orbitals and a Local Random Phase Approximation Approach | Journal of Chemical Theory and Computation
Incremental CCSD(T)(F12*)|MP2: A Black Box Method To Obtain Highly Accurate Reaction Energies | Journal of Chemical Theory and Computation
Gn theory - Curtiss - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Regularized Second-Order Møller–Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost | The Journal of Physical Chemistry Letters
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
Explicitly correlated second-order Møller-Plesset perturbation theory employing pseudospectral numerical quadratures: The Journal of Chemical Physics: Vol 136, No 20
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy | Journal of Chemical Theory and Computation
A review of quantum chemical methods for treating energetic molecules - ScienceDirect
Benchmark Calculations of Three-Body Intermolecular Interactions and the Performance of Low-Cost Electronic Structure Methods | Journal of Chemical Theory and Computation
Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications | Journal of Chemical Theory and Computation