Hartree–Fock Calculations

Q-Chem. Hartree–Fock Calculations. Q-Chem User's Manual.

Type

Book chapter

Intellectual base

Review or monograph

Link

https://manual.q-chem.com/4.3/sect0037.html

Cited by

1 citation across 1 artifact.

Domain-specific

• Coulomb Operator
  • Closed-shell spatial-orbital notation commonly writes $\hat f=\hat h+\sum_a(2\hat J_a-\hat K_a)$ because each occupied spatial orbital carries two electrons; density-matrix and spin conventions change visible coefficients without changing the retained identity.

Verification

This reference passed the adversarial substantiation pipeline: it was checked to exist and to support the claim it is attached to. See how references were verified.

Registry ID ref:82101fc2de74 · see in the full table