Generalized spin-ratio scaled MP2 method for accurate prediction of intermolecular interactions for neutral and ionic species

Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

(2016) Jan Řezáč et al.   CHEMICAL REVIEWS

Comparison of the Effective Fragment Potential Method with Symmetry-Adapted Perturbation Theory in the Calculation of Intermolecular Energies for Ionic Liquids

(2016) Samuel Y. S. Tan et al.   Journal of Chemical Theory and Computation

Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

(2015) Yuanhang Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Novel SCS-IL-MP2 and SOS-IL-MP2 Methods for Accurate Energetics of Large-Scale Ionic Liquid Clusters

(2015) Jason Rigby et al.   Journal of Chemical Theory and Computation

Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded Interactions

(2015) Matthew B. Goldey et al.   Journal of Chemical Theory and Computation

Benchmark Calculations of Three-Body Intermolecular Interactions and the Performance of Low-Cost Electronic Structure Methods

(2015) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

(2014) Lori A. Burns et al.   JOURNAL OF CHEMICAL PHYSICS

New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic Systems

(2014) Jason Rigby et al.   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

(2013) Robert Sedlak et al.   CHEMPHYSCHEM

Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids

(2013) Ekaterina I. Izgorodina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

(2011) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Spin-component-scaled Møller–Plesset (SCS-MP) perturbation theory: A generalization of the MP approach with improved properties

(2010) Reinhold F. Fink   JOURNAL OF CHEMICAL PHYSICS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set

(2010) Lucie Gráfová et al.   Journal of Chemical Theory and Computation

On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C60fullerene with a rare gas atom

(2010) Andreas Hesselmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

(2009) Michal Pitoňák et al.   CHEMPHYSCHEM

Accurate Calculations of Intermolecular Interaction Energies Using Explicitly Correlated Coupled Cluster Wave Functions and a Dispersion-Weighted MP2 Method†

(2009) Oliver Marchetti et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonlocal van der Waals Density Functional Made Simple

(2009) Oleg A. Vydrov et al.   PHYSICAL REVIEW LETTERS

Improved supermolecular second order Møller–Plesset intermolecular interaction energies using time-dependent density functional response theory

(2008) Andreas Heßelmann   JOURNAL OF CHEMICAL PHYSICS

Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller–Plesset perturbation theory

(2008) J. Grant Hill et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS