Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications | Journal of Chemical Theory and Computation
MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations | Journal of Chemical Theory and Computation
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications | Journal of Chemical Theory and Computation
A comparison of how the bond correlation energy changes between MP2 and... | Download Table
PDF) Canonical and DLPNO-based G4(MP2)XK-inspired composite wavefunction methods parametrized against large and chemically diverse training sets: Are they more accurate and/or robust than double hybrid DFT?
Assessing the Accuracy of Various Ab Initio Methods for Geometries and Excitation Energies of Retinal Chromophore Minimal Model by Comparison with CASPT3 Results | Journal of Chemical Theory and Computation
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 Torsional Potential of Dimethyl Peroxide: Still a Difficult Case for Theory | The Journal of Physical Chemistry A
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram
MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations | Journal of Chemical Theory and Computation
Model Chemistries
Gaussian 16 Capabilities | Gaussian.com
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
Improved third‐order Møller–Plesset perturbation theory - Grimme - 2003 - Journal of Computational Chemistry - Wiley Online Library
Optimized geometries of C 6 H 5 CCHÁ Á ÁH 2 S at MP2/aug-cc-pVDZ level. | Download Scientific Diagram
Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA( CCSD) Methods | Journal of Chemical Theory and Computation
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
ChE 551 Lecture 23 Quantum Methods For Activation Barriers ppt download
Consistent scheme for computing standard hydrogen electrode and redox potentials - Matsui - 2013 - Journal of Computational Chemistry - Wiley Online Library
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls | The Journal of Physical Chemistry A
What Can We Learn about Dispersion from the Conformer Surface of n-Pentane? | The Journal of Physical Chemistry A
