What question did this study set out to answer?

The research aims to understand how to effectively separate many-electron systems into subsystems and derive an appropriate Hamiltonian for these subsystems.

December 15, 1971The Journal of Chemical Physics

Theory of Separability of Many-Electron Systems

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The research aims to understand how to effectively separate many-electron systems into subsystems and derive an appropriate Hamiltonian for these subsystems.
Analyzed the separability of atomic and molecular systems into core and valence subsystems.
Determined an effective Hamiltonian based on strong orthogonality among subsystem wavefunctions.
Critically assessed previous work that utilized an improper effective Hamiltonian.
Established that the effective Hamiltonian captures subsystem states more accurately than previous methods.
Showed that utilizing proper separability leads to improved approximations of many-electron systems.

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Implication

Derives an effective Hamiltonian for subsystems, indicating the importance of subsystem properties in many-electron systems.

Cite This Study

Huzinaga et al. (1971) studied this question.

synapsesocial.com/papers/69dd4e4c2f737f012599ba07 https://doi.org/10.1063/1.1675720

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Theory of Separability of Many-Electron Systems

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Implication

Cite This Study

Theory of Separability of Many-Electron Systems

Key Points

Discussion

Implication

Cite This Study

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