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
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
Pro®le diagrams of the di erence electron density distribution ¢»…r † ˆ... | 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
arXiv:2308.06079v2 [physics.chem-ph] 22 Sep 2023
Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods | Journal of Chemical Theory and Computation
Gaussian 16 Capabilities | Gaussian.com
MP2 and CCSD(T) potential energy curves for the T-shaped configuration... | Download Scientific Diagram
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives | Journal of Chemical Theory and Computation
MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration - Sedlak - 2013 - ChemPhysChem - Wiley Online Library
Optimized geometrical parameters (bond lengths (R) and bond angles (A)) | Download Scientific Diagram
Full article: Can G4-like composite Ab Initio methods accurately predict vibrational harmonic frequencies?
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
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
Results of CCSD and CCSD(T) calculations for the permanganate ion.... | Download Scientific Diagram
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications | 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
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
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
QCISD(T) - an overview | ScienceDirect Topics
A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model | Journal of Chemical Theory and Computation
Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods | Journal of Chemical Theory and Computation
The hierarchy of ab initio and DFT methods for describing an intramolecular non-covalent Si⋯N contact in the silicon compounds using electron diffract ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D0CP05872F
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
