Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Keywords

PseudopotentialAtomic physicsAtomic orbitalAb initioValence (chemistry)ExcitationValence electronPhysicsAb initio quantum chemistry methodsIonizationMolecular orbitalSTO-nG basis setsCore electronElectronChemistryMolecular orbital theoryQuantum mechanicsIonMolecule

Affiliated Institutions

University of Stuttgart DE

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Publication Info

Year: 1990
Type: article
Volume: 77
Issue: 2
Pages: 123-141
Citations: 8265
Access: Closed

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APA Style

                            
                                
                                    Dirk Andrae, 
                                
                                    U. H�u�ermann, 
                                
                                    Michael Dolg
                                
                                et al.
                            
                            (1990). 
                            Energy-adjustedab initio pseudopotentials for the second and third row transition elements. 
                            Theoretical Chemistry Accounts
                            , 77
                            (2)
                            , 123-141.
                            https://doi.org/10.1007/bf01114537
                        

Identifiers

DOI: 10.1007/bf01114537

Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Keywords

Affiliated Institutions

Related Publications

Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules

Relativistic effects in <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> effective core potentials for molecular calculations. Applications to the uranium atom

<i>Ab Initio</i> Effective Potentials for Use in Molecular Calculations

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

Relativistic and nonrelativistic effective core potentials for xenon. Applications to XeF, Xe2, and Xe2+

Publication Info

External Links

Social Impact

Citation Metrics

Cite This

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