Non-covalent interactions in quantum chemistry and physics : theory and applications - Otero de la Roza, Alberto; DiLabio, Gino A.; ScienceDirect eBooks (Cambridge : Elsevier, 2017)
3.8.1 S12L Benchmark Database: Introduction3.8.2 Basis Set Extrapolation Scheme for Large Systems; 3.8.3 S12L Benchmark Database: Binding Energies; 3.9 Summary; List of Acronyms; Acknowledgments; References; 4 Wavefunction Theory Approaches to Noncovalent Interactions; 4.1 The Challenges of Modeling Noncovalent Interactions; 4.1.1 The Electron Correlation Challenge; 4.1.2 The Basis Set Challenge; Counterpoise Corrections; 4.2 De nitive Results Using Coupled-Cluster Theory; 4.2.1 The Reliability of Coupled-Cluster with Perturbative Triples, CCSD(T); 4.2.2 Basis Set Extrapolation
Includes bibliographical references and index.
Online resource, title from PDF title page (EBSCO, viewed June 27, 2017).
Elsevier
Keywords: Quantum chemistry; Quantum theory; SCIENCE / Chemistry / Physical & Theoretical; Quantum chemistry; Quantum theory; Electronic books