Abstract

Volume 2: Gaussian Basis Sets and Molecular Integrals (T Helgaker & P Taylor) Time Dependent Response Theory with Applications to Self Consistent Field and Multiconfiguration Self Consistent Field Wave Functions (J. Olsen & P Jorgensen) Evaluation of Bond Energies to Chemical Accuracy by Quantum Chemical Techniques (K Raghavachari & L A Curtiss) Exchange-Correlation Approximations in Density-Functional Theory (A D Becke) Coupled Cluster Theory - An Overview of Recent Developments (P J Bartlett) Pseudospectral Methods Applied to the Electron Correlation Problem (T J Martinez & E A Carter) Quasidegenerate Perturbation Theory Using Effective Hamiltonians (M Hoffmann) Analytical Derivative Techniques and the Calculation of Vibrational Spectra (P Pulay) Applications of Molecular Structure Methods to Problems in Astrochemistry (K P Kirby) The Application of Ab Initio Electronic Structure Calculations to Molecules Containing Transition Metal Atoms (C W Bauschlicher Jr et al) Studies of Electron Molecule Collisions on Massively Parallel Computers (C Winstead & V McKoy).

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call