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Model
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Fine-Tuning Paradigms
The update strategy applied during SFT/) dictates the model's subsequent behavior and computational cost.
| Technique | Parameter Update Scope | Primary Advantage | Noted Side Effect | -
Quantum Chemistry
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Density Functional Theory (DFT)
Density Functional Theory (DFT) has become the dominant methodology in contemporary quantum chemical calculations due to its favorable balance between accuracy and computational cost. DFT reformulates the problem from solving the complex $N$-electron wavefunction to solving for the electron density$.
The fundamental premise is the [Hohenberg–Ko… -
Quantum Chemistry
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The selection of the basis set significantly impacts both the computational cost and the accuracy of the results. Larger basis sets include more functions, better describing the electron density (core functions) and far from the nuclei (polarization functions). Basis set incompleteness error (BSIE) is a known limitation where the [ene…