Gradient corrections in density functional theory calculations for surfaces: Co on Pd{110}

Keywords

ChemisorptionPerturbation theory (quantum mechanics)Local-density approximationAb initioChemistryDensity functional theoryYield (engineering)Ab initio quantum chemistry methodsAtomic physicsThermodynamicsComputational chemistryPhysical chemistryPhysicsAdsorptionQuantum mechanicsMolecule

Affiliated Institutions

University of Cambridge GB

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Publication Info

Year: 1994
Type: article
Volume: 230
Issue: 6
Pages: 501-506
Citations: 159
Access: Closed

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APA Style

                            
                                
                                    P. Hu, 
                                
                                    David A. King, 
                                
                                    S. Crampin
                                
                                et al.
                            
                            (1994). 
                            Gradient corrections in density functional theory calculations for surfaces: Co on Pd{110}. 
                            Chemical Physics Letters
                            , 230
                            (6)
                            , 501-506.
                            https://doi.org/10.1016/0009-2614(94)01184-2
                        

Identifiers

DOI: 10.1016/0009-2614(94)01184-2

Gradient corrections in density functional theory calculations for surfaces: Co on Pd{110}

Keywords

Affiliated Institutions

Related Publications

Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction

<i>Ab initio</i> modeling of boron clustering in silicon

<i>Ab initio</i>molecular dynamics for liquid metals

Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

<i>Ab initio</i>calculation of phonon dispersions in semiconductors

Publication Info

External Links

Social Impact

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