Interaction PCI-X and Applications

Blomberg, M. R. A., 1998, Configuration Interaction PCI-X and Applications in Encyclopedia of Computational Chemistry, Schleyer, P. v. R. (Editor-in-Chief), Wiley, Chichester. 

Circular Dichroism Vibrational Configuration Interaction Configuration Interaction PCI-X and Applications Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field Magnetic Circular Dichroism of n Systems Molecular Magnetic Properties Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics Spectroscopy Computational Methods Stereochemistry Representation and Manipulation. 

Basis Sets Correlation Consistent Sets Classical Trajectory Simulations Final Conditions Complete Active Space Self-consistent Field (CASSCF) Second-order Perturbation Theory (CASPT2) Configuration Interaction Configuration Interaction PCI-X and Applications Core-Valence Correlation Effects Density Functional Applications Density... 

Configuration Interaction Configuration Interaction PCI-X and Applications Core-Valence Correlation Effects Molecular Mechanics Conjugated Systems. 

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. 

The drive toward reliable quantum mechanical predictions for large molecular systems is well represented in ECC articles by George Bacskay Solvation Modeling), Krishnan Balasub-ramanian Relativistic Effective Core Potential Techniques for Molecules Containing Very Heavy Atoms), Margareta Blomberg Configuration Interaction PCI-X and Applications), and Keiji Morokuma Hybrid Methods). 

---