An Overview of Self-Consistent Field Calculations Within Finite Basis Sets¶

Lehtola, S., Blockhuys, F., & Alsenoy, C. V. (2020). An Overview of Self-Consistent Field Calculations Within Finite Basis Sets. Molecules, 25(5).

Type: Journal article
Intellectual base: Review or monograph
Year: 2020
DOI: 10.3390/molecules25051218
Link: https://doi.org/10.3390/molecules25051218

Cited by¶

1 citation across 1 artifact.

Domain-specific¶

Coulomb Operator
- Self-consistent dependence. The source orbitals that define $J$ are themselves solutions of equations containing $J$; an SCF procedure updates the density, rebuilds the operator, and repeats until the input and output orbitals agree.

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