GW Approximation for Quasiparticle Energies L1-319

Quantum MechanicsMany-body perturbation theoryδ=10 · hardL_DAG = 4📋 Stub — not mineable

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Unclaimed Principle — open for contribution

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Forward model E

S i g ma (r, r^{'}; w) = (i /2 p i) \cdot in t e g r a l d w^{'} G (r, r^{'}; w - w^{'}) \cdot W (r, r^{'}; w^{'}); E_{Q} P = E_{K} S + < p s i ∣ S i g ma (E_{Q} P) - V_{x} c ∣ p s i >

GW: electron self-energy Sigma = i*G*W, with G the Green's function and W the screened Coulomb; corrects DFT eigenvalues to quasiparticle energies.

L-DAG

E.G_function -> E.W_screening -> N.pointwise -> O.quasiparticle

E.G_functionE.W_screeningN.pointwiseO.quasiparticle

Well-posedness W

Existence:: true
Uniqueness:: true
Stability:: conditional
κ:: 2500

Moderately ill-posed; self-consistent GW (scGW) partially removes G_0W_0 starting-point dependence.

Solvability C

Solver class:: BerkeleyGW, ABINIT, YAMBO; contour-deformation for self-energy
Convergence rate q:: 2
Complexity:: principle-dependent

Specs (0)

No L2 specs registered yet for this principle.