Molecular Orbital Perturbation Theory. I. A Perturbation Method Based on Self-Consistent Orbitals
β Scribed by J. A. Pople
- Book ID
- 123675584
- Publisher
- The Royal Society
- Year
- 1955
- Tongue
- English
- Weight
- 424 KB
- Volume
- 233
- Category
- Article
- ISSN
- 0962-8444
- DOI
- 10.2307/99881
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Explains the underlying structure that unites all disciplines in chemistry Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The
## Abstract Even after completing a multiconfiguration selfβconsistentβfield (MCSCF) calculation, one must often include additional configuration interaction (CI) to obtain quantitative or semiquantitative results. There is some question of whether the prior MCSCF calculation is worthwhile, if addi