Abstract
A method is suggested for the calculation of the matrix elements of the logarithm of an operator which gives the exact wavefunction when operating on the wavefunction in the one-electron approximation. The method is based on the use of the creation and annihilation operators, hole—particle formalism, Wick's theorem, and the technique of Feynman-like diagrams. The connection of this method with the configuration-interaction method as well as with the perturbation theory in the quantum-field theoretical form is discussed. The method is applied to the simple models of nitrogen and benzene molecules. The results are compared with those obtained with the configuration-interaction method considering all possible configurations within the chosen basis of one-electron functions.
Keywords
Wave functionQuantum mechanicsFeynman diagramPhysicsLogarithmFormalism (music)Perturbation theory (quantum mechanics)MathematicsMathematical analysis
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Publication Info
- Year
- 1966
- Type
- article
- Volume
- 45
- Issue
- 11
- Pages
- 4256-4266
- Citations
- 3005
- Access
- Closed
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Cite This
Jiřı́ Čı́žek
(1966).
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods.
The Journal of Chemical Physics
, 45
(11)
, 4256-4266.
https://doi.org/10.1063/1.1727484
Identifiers
- DOI
- 10.1063/1.1727484