OH + H2 → H2O + H. The importance of ‘exact exchange’ in density functional theory

Keywords

Density functional theoryChemistryComputational chemistryPotential energy surfaceHartree–Fock methodPotential energyAtomic physicsThermodynamicsPhysicsMoleculeOrganic chemistry

Affiliated Institutions

San Diego Supercomputer Center US

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Publication Info

Year: 1995
Type: article
Volume: 237
Issue: 1-2
Pages: 53-60
Citations: 139
Access: Closed

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APA Style

                            
                                
                                    Jon Baker, 
                                
                                    Jan Andzelm, 
                                
                                    Max Muir
                                
                                et al.
                            
                            (1995). 
                            OH + H2 → H2O + H. The importance of ‘exact exchange’ in density functional theory. 
                            Chemical Physics Letters
                            , 237
                            (1-2)
                            , 53-60.
                            https://doi.org/10.1016/0009-2614(95)00299-j
                        

Identifiers

DOI: 10.1016/0009-2614(95)00299-j