Plot of (a) MP2 and MP4 relative energy and (b) GIAO-... | Download Scientific Diagram
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets. | Semantic Scholar
Structure of the three C 20 isomers optimized at MP2/cc-pVDZ level. | Download Scientific Diagram
MP2/4-31G** optimized geometries of CNH...CNH, CNH...NCH, NCH...NCH, and NCH...CNH complexes and the CNH and NCH monomers. Bond distances in Angstrom.
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | Journal of Chemical Theory and Computation
Differential changes in the bond lengths for HF, MP2, and CCSDT pm. | Download Scientific Diagram
Optimized geometries of C 6 H 5 CCHÁ Á ÁH 2 S at MP2/aug-cc-pVDZ level. | Download Scientific Diagram
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
Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram
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
Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit | Journal of Chemical Theory and Computation
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
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
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
Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures | The Journal of Physical Chemistry A
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
Ab initio composite methodologies: Their significance for the chemistry community - ScienceDirect
On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library
Model Chemistries
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
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets. | Semantic Scholar
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
Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches | The Journal of Physical Chemistry A
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
IJMS | Free Full-Text | Ab initio post-HF CCSD(T) Calculations for Triplet and Singlet Methylene in Four consecutive Dunning Basis Sets with Extrapolations to Infinite Limits for Various Molecular Properties
