Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives | Journal of Chemical Theory and Computation
Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D2CP02234F
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | Download Scientific Diagram
arXiv:1808.02799v2 [physics.chem-ph] 9 Aug 2018
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 and CCSD(T) potential energy curves for the T-shaped configuration... | Download Scientific Diagram
Assessment of CCSD(T), MP2, and DFT methods for the calculations of structures and interaction energies of the peptide backbone with water molecules - ScienceDirect
arXiv:2308.06079v2 [physics.chem-ph] 22 Sep 2023
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications | Journal of Chemical Theory and Computation
Optimized geometrical parameters (bond lengths (R) and bond angles (A)) | Download Scientific Diagram
Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT? - Abstract - Europe PMC
Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications | Journal of Chemical Theory and Computation
Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken‐Symmetry DFT and new CCSD(T) benchmarks - Xu - 2018 - Journal of Computational Chemistry - Wiley Online Library
Molecular Modeling Basics: August 2015
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
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
MP2, CCSD(T), and Density Functional Theory Study of the 2-Butyl Cation: New Insight into the Methyl- and Hydrogen-Bridged Structures | The Journal of Physical Chemistry A
QCISD(T) - an overview | ScienceDirect Topics
Gaussian 16 Capabilities | Gaussian.com
Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters | ACS Omega
Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 Alternatives. - Abstract - Europe PMC
Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT? - Abstract - Europe PMC
