![Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine - ScienceDirect Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine - ScienceDirect](https://ars.els-cdn.com/content/image/1-s2.0-S0009261411009754-gr2.gif)
Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine - ScienceDirect
![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 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](https://www.mdpi.com/ijms/ijms-06-00157/article_deploy/html/images/ijms-06-00157-g001.png)
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
![MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram](https://www.researchgate.net/publication/229108576/figure/fig2/AS:11431281175776907@1689872537803/MP2-AVDZ-optimized-structures-for-the-C-1-a-the-transition-state-b-and-the-C-3-c.png)
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
![Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures | The Journal of Physical Chemistry A Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures | The Journal of Physical Chemistry A](https://pubs.acs.org/cms/10.1021/acs.jpca.1c10688/asset/images/medium/jp1c10688_0015.gif)
Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures | The Journal of Physical Chemistry A
![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 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](https://pubs.acs.org/cms/10.1021/acs.jctc.6b00108/asset/images/medium/ct-2016-00108d_0009.gif)
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
![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. 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.](https://www.researchgate.net/publication/26427760/figure/fig1/AS:310099248730112@1450944830272/MP2-4-31G-optimized-geometries-of-CNHCNH-CNHNCH-NCHNCH-and-NCHCNH.png)
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.
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
![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](https://pubs.acs.org/cms/10.1021/acs.jctc.3c00444/asset/images/large/ct3c00444_0002.jpeg)
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
![Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin‐component‐scaled Møller–Plesset second‐order method - Champagne - 2009 - International Journal of Quantum Chemistry - Wiley Online Library Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin‐component‐scaled Møller–Plesset second‐order method - Champagne - 2009 - International Journal of Quantum Chemistry - Wiley Online Library](https://onlinelibrary.wiley.com/cms/asset/4bb8a32b-e592-4ddd-bce5-d262f99525e7/mfig002.jpg)
Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin‐component‐scaled Møller–Plesset second‐order method - Champagne - 2009 - International Journal of Quantum Chemistry - Wiley Online Library
![Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram](https://www.researchgate.net/publication/228999794/figure/fig2/AS:408208763047937@1474335961562/ProRle-diagrams-of-the-di-erence-electron-density-distribution-r-B-only.png)
Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram
Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals? | 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 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](https://pubs.acs.org/cms/10.1021/acs.jctc.3c00952/asset/images/medium/ct3c00952_0001.gif)
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
![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 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](https://pubs.acs.org/cms/10.1021/acs.jpclett.1c03468/asset/images/large/jz1c03468_0003.jpeg)
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
![PDF) Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride PDF) Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride](https://i1.rgstatic.net/publication/49631996_Effects_of_counterpoise_correction_and_basis_set_extrapolation_on_the_MP2_geometries_of_hydrogen_bonded_dimers_of_ammonia_water_and_hydrogen_fluoride/links/57da50ab08ae601b39b1cd5a/largepreview.png)
PDF) Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride
![Incremental CCSD(T)(F12*)|MP2: A Black Box Method To Obtain Highly Accurate Reaction Energies | 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](https://pubs.acs.org/cms/10.1021/ct4008074/asset/images/medium/ct-2013-008074_0011.gif)
Incremental CCSD(T)(F12*)|MP2: A Black Box Method To Obtain Highly Accurate Reaction Energies | 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 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](https://d3i71xaburhd42.cloudfront.net/6db470ef5249f2b67d9b449ce944f6271d9bbe16/5-TableI-1.png)
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
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
![Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | Journal of Chemical Theory and Computation Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | Journal of Chemical Theory and Computation](https://pubs.acs.org/cms/10.1021/acs.jctc.3c00979/asset/images/medium/ct3c00979_0006.gif)
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | 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 Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library](https://chemistry-europe.onlinelibrary.wiley.com/cms/asset/e939f047-c459-4f44-8d97-0d1a1982728e/mcontent.jpg)
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - 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 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](https://pubs.acs.org/cms/10.1021/acs.jpclett.1c03468/asset/images/large/jz1c03468_0013.jpeg)
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
![Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches | The Journal of Physical Chemistry A Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches | The Journal of Physical Chemistry A](https://pubs.acs.org/cms/10.1021/acs.jpca.0c09116/asset/images/medium/jp0c09116_0009.gif)
Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches | The Journal of Physical Chemistry A
![On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library](https://onlinelibrary.wiley.com/cms/asset/1d4eae1b-1830-44c9-8cce-f54b07e204c1/jcc23972-toc-0001-m.jpg?trick=1705543152432)
On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library
![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 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](https://d3i71xaburhd42.cloudfront.net/6db470ef5249f2b67d9b449ce944f6271d9bbe16/11-Figure1-1.png)