Coupled Cluster Theory ·
The Gold Standard of Quantum Chemistry
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ansatz
|Φ₀⟩
level
Hartree–Fock
error
—
step
—
occupied orbitals (electrons)
virtual orbitals
T̂₁ singles · T̂₂ doubles
e^T̂ disconnected quadruples
chemical accuracy ≈1 kJ/mol
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