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# SingleShot1DGreensSolver | ||
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Goal: solve the semi-infinite Green's function [g₀⁻¹ -V'GV]G = 1, where GV = ∑ₖφᵢᵏ λᵏ (φ⁻¹)ᵏⱼ. | ||
It involves solving retarded solutions to | ||
[(ωI-H₀)λ - V - V'λ²] φ = 0 | ||
We do a SVD of | ||
V = WSU' | ||
V' = US'W' | ||
where U and W are unitary, and S is diagonal with perhaps some zero | ||
singlular values. We write [φₛ, φᵦ] = U'φ, where the β sector has zero singular values, | ||
SPᵦ = 0 | ||
U' = [Pₛ; Pᵦ] | ||
[φₛ; φᵦ] = U'φ = [Pₛφ; Pᵦφ] | ||
[Cₛₛ Cₛᵦ; Cᵦₛ Cᵦᵦ] = U'CU for any operator C | ||
Then | ||
[λU'(ωI-H₀)U - U'VU - λ²U'VU] Uφ = 0 | ||
U'VU = U'WS = [Vₛₛ 0; Vᵦₛ 0] | ||
U'V'U= S'W'U= [Vₛₛ' Vᵦₛ; 0 0] | ||
U'(ωI-H₀)U = U'(g₀⁻¹)U = [g₀⁻¹ₛₛ g₀⁻¹ₛᵦ; g₀⁻¹ᵦₛ g₀⁻¹ᵦᵦ] = ωI - [H₀ₛₛ H₀ₛᵦ; H₀ᵦₛ H₀ᵦᵦ] | ||
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The [λ(ωI-H₀) - V - λ²V'] φ = 0 problem can be solved by defining φχ = [φ,χ] = [φ, λφ] and | ||
solving eigenpairs A*φχ = λ B*φχ, where | ||
A = [0 I; -V g₀⁻¹] | ||
B = [I 0; 0 V'] | ||
To eliminate zero or infinite λ, we reduce the problem to the s sector | ||
Aₛₛ [φₛ,χₛ] = λ Bₛₛ [φₛ,χₛ] | ||
Aₛₛ = [0 I; -Vₛₛ g₀⁻¹ₛₛ] + [0 0; -Σ₁ -Σ₀] | ||
Bₛₛ = [I 0; 0 Vₛₛ'] + [0 0; 0 Σ₁'] | ||
where | ||
Σ₀ = g₀⁻¹ₛᵦ g₀ᵦᵦ g₀⁻¹ᵦₛ + V'ₛᵦ g₀ᵦᵦ Vᵦₛ = H₀ₛᵦ g₀ᵦᵦ H₀ᵦₛ + Vₛᵦ g₀ᵦᵦ Vᵦₛ | ||
Σ₁ = - g₀⁻¹ₛᵦ g₀ᵦᵦ Vᵦₛ = H₀ₛᵦ g₀ᵦᵦ Vᵦₛ | ||
g₀⁻¹ₛₛ = ωI - H₀ₛₛ | ||
g₀⁻¹ₛᵦ = - H₀ₛᵦ | ||
Here g₀ᵦᵦ is the inverse of the bulk part of g₀⁻¹, g₀⁻¹ᵦᵦ = ωI - H₀ᵦᵦ. To compute this inverse | ||
efficiently, we store the Hessenberg factorization `hessbb = hessenberg(-H₀ᵦᵦ)` and use shifts. | ||
Then, g₀ᵦᵦ H₀ᵦₛ = (hess + ω I) \ H₀ᵦₛ and g₀ᵦᵦ Vᵦₛ = (hess + ω I) \ Vᵦₛ. | ||
Diagonalizing (Aₛₛ, Bₛₛ) we obtain the surface projection φₛ = Pₛφ of eigenvectors φ. The | ||
bulk part is | ||
φᵦ = g₀ᵦᵦ (λ⁻¹Vᵦₛ - g₀⁻¹ᵦₛ) φₛ = g₀ᵦᵦ(λ⁻¹Vᵦₛ + H₀ᵦₛ) φₛ | ||
so that the full φ's with non-zero λ read | ||
φ = U[φₛ; φᵦ] = [Pₛ' Pᵦ'][φₛ; φᵦ] = [Pₛ' + Pᵦ' g₀ᵦᵦ(λ⁻¹Vᵦₛ + H₀ᵦₛ)] φₛ = Z[λ] φₛ | ||
Z[λ] = [Pₛ' + Pᵦ' g₀ᵦᵦ(λ⁻¹Vᵦₛ + H₀ᵦₛ)] | ||
We can complete the set with the λ=0 solutions, Vφᴿ₀ = 0 and the λ=∞ solutions V'φᴬ₀ = 0. | ||
Its important to note that U'φᴿ₀ = [0; φ₀ᵦᴿ] and W'φᴬ₀ = [0; φ₀ᵦ´ᴬ] | ||
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By computing the velocities vᵢ = im * φᵢ'(V'λᵢ-Vλᵢ')φᵢ / φᵢ'φᵢ = 2*imag(χᵢ'Vφᵢ)/φᵢ'φᵢ we | ||
classify φ into retarded (|λ|<1 or v > 0) and advanced (|λ|>1 or v < 0). Then | ||
φᴿ = Z[λᴿ]φₛᴿ = [φₛᴿ; φᵦᴿ] | ||
U'φᴿ = [φₛᴿ; φᵦᴿ] | ||
φᴬ = Z[λᴬ]φₛᴬ = [φₛᴬ; φᵦᴬ] | ||
Wφᴬ = [φₛ´ᴬ; φᵦ´ᴬ] (different from [φₛᴬ; φᵦᴬ]) | ||
The square matrix of all retarded and advanced modes read [φᴿ φᴿ₀] and [φᴬ φᴬ₀]. | ||
We now return to the Green's functions. The right and left semiinfinite GrV and GlV' read | ||
GrV = [φᴿ φ₀ᴿ][λ 0; 0 0][φᴿ φ₀ᴿ]⁻¹ = φᴿ λ (φₛᴿ)⁻¹Pₛ | ||
(used [φᴿ φ₀ᴿ] = U[φₛᴿ 0; φᵦᴿ φᴿ₀ᵦ] => [φᴿ φ₀ᴿ]⁻¹ = [φₛᴿ⁻¹ 0; -φᵦᴿ(φₛᴿ)⁻¹ (φᴿ₀ᵦ)⁻¹]U') | ||
GlV´ = [φᴬ φ₀ᴬ][(λᴬ)⁻¹ 0; 0 0][φᴬ φ₀ᴬ]⁻¹ = φᴬ λ (φₛ´ᴬ)⁻¹Pₛ´ | ||
(used [φᴬ φᴬ₀]⁻¹ = W[φₛ´ᴬ 0; φᵦ´ᴬ φ₀ᵦ´ᴬ] => [φᴬ φ₀ᴬ]⁻¹ = [(φₛ´ᴬ)⁻¹ 0; -φᵦ´ᴬ(φₛ´ᴬ)⁻¹ (φ₀ᵦ´ᴬ)⁻¹]W') | ||
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We can then write the local Green function G∞_{0} of the semiinfinite and infinite lead as | ||
Gr_{1,1} = Gr = [g₀⁻¹ - V'GrV]⁻¹ | ||
Gl_{-1,-1} = Gl = [g₀⁻¹ - VGlV']⁻¹ | ||
G∞_{0} = [g₀⁻¹ - VGlV' - V'GrV]⁻¹ | ||
(GrV)ᴺ = φᴿ (λᴿ)ᴺ (φₛᴿ)⁻¹ Pₛ = χᴿ (λᴿ)ᴺ⁻¹ (φₛᴿ)⁻¹ Pₛ | ||
(GlV´)ᴺ = φᴬ (λᴬ)⁻ᴺ (φₛᴬ)⁻¹ Pₛₚ = φᴬ (λᴬ)¹⁻ᴺ(χₛᴬ)⁻¹ Pₛₚ | ||
φᴿ = [Pₛ' + Pᵦ' g₀ᵦᵦ ((λᴿ)⁻¹Vᵦₛ + H₀ᵦₛ)]φₛᴿ | ||
φᴬ = [Pₛ' + Pᵦ' g₀ᵦᵦ ((λᴬ)Vᵦₛ + H₀ᵦₛ)]φₛᴬ | ||
where φₛᴿ and φₛᴬ are retarded/advanced eigenstates with eigenvalues λᴿ and λᴬ. Here Pᵦ is | ||
the projector onto the uncoupled V sites, VPᵦ = 0, Pₛ = 1 - Pᵦ is the surface projector of V | ||
and Pₛₚ is the surface projector of V'. | ||
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Defining | ||
GVᴺ = (GrV)ᴺ for N>0 and (GlV´)⁻ᴺ for N<0 | ||
we have | ||
Semiinifinite: G_{N,M} = (GVᴺ⁻ᴹ - GVᴺGV⁻ᴹ)G∞_{0} | ||
Infinite: G∞_{N} = GVᴺ G∞_{0} | ||
Spelling it out | ||
Semiinfinite right (N,M > 0): G_{N,M} = G∞_(N-M) - (GrV)ᴺ G∞_(-M) = [GVᴺ⁻ᴹ - (GrV)ᴺ (GlV´)ᴹ]G∞_0. | ||
At surface (N=M=1), G_{1,1} = Gr = (1- GrVGlV´)G∞_0 = [g₀⁻¹ - V'GrV]⁻¹ | ||
Semiinfinite left (N,M < 0): G_{N,M} = G∞_(N-M) - (GlV´)⁻ᴺ G∞_(-M) = [GVᴺ⁻ᴹ - (GlV´)⁻ᴺ(GrV)⁻ᴹ]G∞_0. | ||
At surface (N=M=-1), G_{1,1} = Gl = (1- GrVGlV´)G∞_0 = [g₀⁻¹ - VGlV']⁻¹ |
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