Configuration interaction CASSCF technique

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. 

An in-depth description of the theoretical basis of these methodologies as well as other computational techniques can be found in Refs. [5,8]. The dynamic correlation energy can be efficiently recovered by using the Cl (configurational interaction), Mpller-Plesset perturbation theory (MP ), and coupled cluster (CC) methods, whereas multireference Cl methods such as complete active space self-consistent field (CASSCF) allow an adequate description of the static correlations. 

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