(or what it is the same, the atomic orbitals)
Radial Distribution Function |
Orbital |
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1s | Ψ1,0,0 = (1/ √π) (Z/a)3/2 e-Zr/a |
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2s | Ψ2,0,0 = (1 / √(32π)) (Z/a)3/2 (2 - Zr/a) e-Zr/2a |
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2py | Ψ2,1,-1 = (1 / √(32π)) (Z/a)5/2 r e-Zr/2a sinθ sinφ |
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2pz | Ψ2,1,0 = (1/ √(32π)) (Z/a)5/2 r e-Zr/2a cosθ |
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2px | Ψ2,1,1 = (1 / √(32π)) (Z/a)5/2 r e-Zr/2a sinθ cosφ |
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3s | Ψ3,0,0 = 1/(81√(3π)) (Z/a)3/2 (27 - 18Zr/a + 2(Zr/a)2) e-Zr/3a |
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3py | Ψ3,1,-1 = (√2 / 81√π ) (Z/a)5/2 (6 - Zr/a) r e-Zr/3a sinθ sinφ |
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3pz | Ψ3,1,0 = (√2 / 81√π ) (Z/a)5/2 (6 - Zr/a) r e-Zr/3a cosθ |
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3px | Ψ3,1,1 = (√2 / 81√π ) (Z/a)5/2 (6 - Zr/a) r e-Zr/3a sinθ cosφ |
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3dxy | Ψ3,2,-2 = (1 / 81√(2π)) (Z/a)7/2 r2 e-Zr/3a sin2θ sin(2φ) |
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3dyz | Ψ3,2,-1 = (√2 / 81√π ) (Z/a)7/2 r2 e-Zr/3a sinθ cosθ sinφ |
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3dz2 | Ψ3,2,0 = (1 / 81√(6π)) (Z/a)7/2 r2 e-Zr/3a (3cos2θ - 1) |
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3dxz | Ψ3,2,1 = (√2 / 81√π ) (Z/a)7/2 r2 e-Zr/3a sinθ cosθ cosφ |
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3dx2-y2 | Ψ3,2,2 = (1 / 81√(2π)) (Z/a)7/2 r2 e-Zr/3a sin2θ cos(2φ) |
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4s | Ψ4,0,0 = (1 / 1536√π) (Z/a)3/2 (192 - 144(Zr/a) + 24(Zr/a)2 - (Zr/a)3) e-Zr/4a |
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4py | Ψ4,1,-1 = (1 / 512√(5π)) (Z/a)5/2 (80 - 20(Zr/a) + (Zr/a)2) r e-Zr/4a sinθ sinφ |
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4pz | Ψ4,1,0 = (1 / 512√(5π)) (Z/a)5/2 (80 - 20(Zr/a) + (Zr/a)2) r e-Zr/4a cosθ |
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4px | Ψ4,1,1 = (1 / 512√(5π)) (Z/a)5/2 (80 - 20(Zr/a) + (Zr/a)2) r e-Zr/4a sinθ cosφ |
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4dxy | Ψ4,2,-2 = (√3 / 1536√π) (Z/a)7/2 (12 - Zr/a) r2 e-Zr/4a sin2θ sin(2φ) |
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4dyz | Ψ4,2,-1 = (√3 / 3072√π) (Z/a)7/2 (12 - Zr/a) r2 e-Zr/4a sinθ cosθ sinφ |
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4dz2 | Ψ4,2,0 = (1 / 3072√π) (Z/a)7/2 (12 - Zr/a) r2 e-Zr/4a (3cos2θ - 1) |
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4dxz | Ψ4,2,1 = (√3 / 3072√π) (Z/a)7/2 (12 - Zr/a) r2 e-Zr/4a sinθ cosθ cosφ |
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4dx2-y2 | Ψ4,2,2 = (√3 / 1536√π) (Z/a)7/2 (12 - Zr/a) r2 e-Zr/4a sin2θ cos(2φ) |
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4fy(3x2-y2) |
Ψ4,3,-3 = (1 / 3072√(2π)) (Z/a)9/2 r3 e-Zr/4a sin3θ sin(3φ) |
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4fxyz | Ψ4,3,-2 = (√3 / 3072√(2π)) (Z/a)9/2 r3 e-Zr/4a sin2θ cosθ sin(2φ) |
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4fyz2 | Ψ4,3,-1 = (√3 / 3072√(10π)) (Z/a)9/2 r3 e-Zr/4a sinθ (5cos2θ - 1) sinφ |
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4fz3 | Ψ4,3,0 = (1 / 3072√(5π)) (Z/a)9/2 r3 e-Zr/4a (5cos3θ - 3cosθ) |
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4fxz2 | Ψ4,3,1 = (√3 / 3072√(10π)) (Z/a)9/2 r3 e-Zr/4a sinθ (5cos2θ - 1) cosφ |
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4fz(x2-y2) | Ψ4,3,2 = (√3 / 3072√(2π)) (Z/a)9/2 r3 e-Zr/4a sin2θ cosθ cos(2φ) |
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4fx(x2-3y2) | Ψ4,3,3 = (1 / 3072√(2π)) (Z/a)9/2 r3 e-Zr/4a sin3θ cos(3φ) |
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