References for Ab Initio Methods

1. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory, John Wiley and Sons, New York, 1986.

2. Hehre, W. J. Practical Strategies for Electronic Structure Calculations, Wavefunction, Inc., Irvine, CA, 1995.

3. Hinchcliffe, A. Computational Quantum Chemistry, John Wiley and Sons, Chichester, 1988.

4. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry, McGraw-Hill, New York, 1989.

5. Jensen, F.; Introduction to Computational Chemistry, John Wiley and Sons, New York, 1997.

6. Young, D.; Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, Wiley-Interscience, New York, 2001.

7. GAMESS: Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. J.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem., 1993, 14, 1347.

8. A review of the relation between basis set and the accuracy with which properties can be calculated: Davidson, E. R.; Feller, D. Chem. Rev., 1986, 86, 681.

9. A review of calculations on open shell species (doublets and triplets):Bally, T.; Borden, W. T., Reviews in Computational Chemistry, 1999, 13, 1.

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