Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set

2014 ◽  
Vol 10 (10) ◽  
pp. 4759-4760 ◽  
Author(s):  
Joanna C. Flick ◽  
Dmytro Kosenkov ◽  
Edward G. Hohenstein ◽  
C. David Sherrill ◽  
Lyudmila V. Slipchenko
Keyword(s):  
Perturbation Theory ◽  
Method Comparison ◽  
Potential Method ◽  
Noncovalent Interaction ◽  
Accurate Prediction ◽  
Interaction Energies ◽  
Test Set ◽  
Effective Fragment Potential ◽  
Energy Components

scholarly journals Basis set consistent revision of the S22 test set of noncovalent interaction energies

2010 ◽  
Vol 132 (14) ◽  
pp. 144104 ◽  
Author(s):  
Tait Takatani ◽  
Edward G. Hohenstein ◽  
Massimo Malagoli ◽  
Michael S. Marshall ◽  
C. David Sherrill
Keyword(s):  
Noncovalent Interaction ◽  
Basis Set ◽  
Interaction Energies ◽  
Test Set

Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory

2020 ◽  
Vol 152 (7) ◽  
pp. 074103 ◽  
Author(s):  
Derek P. Metcalf ◽  
Alexios Koutsoukas ◽  
Steven A. Spronk ◽  
Brian L. Claus ◽  
Deborah A. Loughney ◽  
...  
Keyword(s):  
Machine Learning ◽  
Perturbation Theory ◽  
Intermolecular Interaction ◽  
Interaction Energies ◽  
Energy Components

Solvent-Induced Frequency Shifts: Configuration Interaction Singles Combined with the Effective Fragment Potential Method

2010 ◽  
Vol 114 (25) ◽  
pp. 6742-6750 ◽  
Author(s):  
Pooja Arora ◽  
Lyudmila V. Slipchenko ◽  
Simon P. Webb ◽  
Albert DeFusco ◽  
Mark S. Gordon
Keyword(s):  
Configuration Interaction ◽  
Potential Method ◽  
Frequency Shifts ◽  
Effective Fragment Potential

Second-order energy components in basis-set-superposition-error-free intermolecular perturbation theory

2001 ◽  
Vol 107 (1) ◽  
pp. 38-47 ◽  
Author(s):  
A. Hamza ◽  
Á. Vibók ◽  
G. J. Halász ◽  
I. Mayer
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Basis Set ◽  
Basis Set Superposition Error ◽  
Order Energy ◽  
Intermolecular Perturbation Theory ◽  
Energy Components

scholarly journals Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers

2010 ◽  
Vol 114 (48) ◽  
pp. 12739-12754 ◽  
Author(s):  
Debashree Ghosh ◽  
Dmytro Kosenkov ◽  
Vitalii Vanovschi ◽  
Christopher F. Williams ◽  
John M. Herbert ◽  
...  
Keyword(s):  
Noncovalent Interactions ◽  
Potential Method ◽  
Effective Fragment Potential ◽  
Extended Systems
Sign in / Sign up

Export Citation Format

Share Document