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Relativistic Theory and Applications

While it is the accepted wisdom that relativistic calculations (see Relativistic Theory and Applications) are not worthwhile for molecules containing only first- and perhaps second-row... [Pg.116]

Field (CASSCF) Second-order Perturbation Theory (CAS-PT2) Configuration Interaction Core-Valence Correlation Effects Coupled-cluster Theory Experimental Data Evaluation and Quality Control G2 Theory Heats of Formation Isoelectronic Isogyric Reactions M0ller-Plesset Perturbation Theory Numerical Hartree-Fock Methods for Molecules r 12-Dependent Wavefunctions Relativistic Theory and Applications Spectroscopy Computational Methods Spin Contamination Transition Metals Applications,... [Pg.127]

Configuration Interaction Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field Density Functional Theory Applications to Transition Metal Problems Metal Complexes Relativistic Effective Core Potential Techniques for Molecules Containing Very Heavy Atoms Relativistic Effects of the Superheavy Elements Relativistic Theory and Applications Transition Metal Chemistry Transition Metals Applications. [Pg.1485]

Relativistic Effects of the Superheavy Elements Relativistic Theory and Applications. [Pg.2479]

Basis Sets Correlation Consistent Sets Benchmark Studies on Small Molecules Complete Active Space Self-consistent Field (CASSCF) Second-order Perturbation Theory (CASPT2) Configuration Interaction Configuration Interaction PCI-X and Applications Core-Valence Correlation Effects Coupled-cbister Theory Density Functional Applications Density Functional Theory (DFT), Har-tree-Fock (HF), and the Self-consistent Field Density Functional Theory Applications to Transition Metal Problems Electronic Structure of Meted and Mixed Nonstoi-chiometric Clusters G2 Theory Gradient Theory Heats of Formation Hybrid Methods Metal Complexes Relativistic Effective Core Potential Techniques for Molecules Containing Very Heavy Atoms Relativistic Theory and Applications Semiempiriced Methetds Transition Metals Surface Chemi-ced Bond Transition Meted Chemistry. [Pg.3093]


See other pages where Relativistic Theory and Applications is mentioned: [Pg.116]    [Pg.690]    [Pg.1479]    [Pg.1578]    [Pg.2499]    [Pg.2499]    [Pg.2500]    [Pg.2501]    [Pg.2502]    [Pg.2503]    [Pg.2504]    [Pg.2505]    [Pg.2506]    [Pg.2507]    [Pg.2653]    [Pg.3357]    [Pg.3446]   


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Applications theory

Relativistic theory applications

Theory and applications

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