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Molecular Orbital Perturbation Theory. I. A Perturbation Method Based on Self-Consistent Orbitals

✍ Scribed by Pople, J. A.


Book ID
120146130
Publisher
The Royal Society
Year
1955
Tongue
English
Weight
534 KB
Volume
233
Category
Article
ISSN
0962-8444

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## Abstract Even after completing a multiconfiguration self‐consistent‐field (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