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A note on perturbation-adapted perturbation theory.
Péter R Surján1, Dóra Kőhalmi1, Ágnes Szabados1
1Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary.
This study analyzes Knowles partitioning, comparing it to Adams and Davidson-Kapuy methods. It reformulates Davidson
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Area of Science:
- Quantum Chemistry
- Theoretical Chemistry
Background:
- The Knowles partitioning method was recently introduced.
- Existing partitioning methods include Adams and Davidson-Kapuy.
Purpose of the Study:
- To analyze the recently introduced Knowles partitioning.
- To discuss its connections with Adams and Davidson-Kapuy partitioning.
- To reformulate Davidson's partitioning using second quantization.
Main Methods:
- Analysis of Knowles partitioning.
- Comparison with Adams and Davidson-Kapuy partitioning.
- Reformulation of Davidson's partitioning using second quantized formalism.
Main Results:
- Connections between Knowles, Adams, and Davidson-Kapuy partitioning are discussed.
- Davidson's partitioning is reformulated.
- A relation is identified between the Knowles condition and CEPA0 equations.
Conclusions:
- The study provides a deeper understanding of different partitioning methods in quantum chemistry.
- It establishes a link between many-body perturbation theory and coupled electron pair approximation.

