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S m l (θ, φ) rl χ(k, l, m) = Nl(ςk) (2l+3)/4 exp(−ςkr p )r l S m l (θ, φ) k = 1, 2, ..., Nl = 2 (4l+7)/4 π −1/4 [(2l + 1)!] −1/2 , p = 1 p = 2 ς ςk = αβ k−1 , k = 1, 2, ..., M. α β M • α α • β • M α β M α β 1s 2p 3d
α β M l l M(l) −→ ∞ α(l) −→ 0 β(l) −→ 1 β(l) M −→ ∞ 9s1p e −H2 p = 2 1s 2s 3s 4s 5s 6s 7s 8s 9s 1p (9s1p) • H2 CO N2 • DZV • 5
Page 3 and 4: a
Page 6: e −H2 e −CO e −N2 52
Page 9 and 10: e −H2 e −CO e −N2 52
Page 11: e −H2 e
Page 14 and 15: SiH4 GeH4 CF4
Page 16 and 17: e −H2 e −N2 e −CO
Page 18 and 19: AB ∗ (AB)
Page 20 and 21: 〈|ψ ± 〉 = 〈|φ〉 + d 3 p
Page 22 and 23: || ≫ | ′ | r = || |r|
Page 24 and 25: f (1) ( ′ ,) = − 1 2m 4π 2 d
Page 26 and 27: T T |φ〉 = V |φ〉 + 1 V E −
Page 28 and 29: ( Ho, 2, Lz) |E,
Page 30 and 31: ′ Y m l ( ′ ) = m
Page 32 and 33: N M HΨ(x1, x2, ..
Page 34 and 35: − 1 2 ∇2 + Hmol + V A {|Φ
Page 36 and 37: f( ′ ,) = −2π 2 〈φ ′| k
Page 38 and 39: ψ (+) k () = ψ (−) k ′ () =
Page 40 and 41: R2 = R0 ∪ S1 ψ (±) ()
Page 42 and 43: {χ} ϕ i = i cµiχ µ,
Page 44 and 45: H He Li Ne Na Ar K Ca
Page 46 and 47: DZV H2 (4s)/[2s]
Page 50 and 51: H2 CO N2 e −H2
Page 52 and 53: 5
Page 54 and 55: 15
Page 56 and 57: e −CO e −CO
Page 58 and 59: 15 60 o ≤ θ
Page 60 and 61: e −N2 N2
Page 62 and 63: 10
Page 64 and 65: 20
Page 66 and 67: • θ > 30 o
Page 68 and 69: θ > 30 o
Page 70 and 71: Φ = [(2n)!] 1 2 A (ϕ1α) 1 (ϕ
Page 72 and 73: ∗ h + (2 J ∗ j − K ∗ j )
Page 74 and 75: Spq = χ ∗ pχ qdϑ. (δ † i
Page 76 and 77: Spq = χ ∗ pχ qdϑ. (δ † i
Page 78: Spq = χ ∗ pχ qdϑ. (δ † i

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