introduction/figures/P NG/1_{i}ntroduction/figures/P DF/1_{i}ntroduction/figures/1_{i}ntroduction/figures/EP S/1_{i}ntroduction/figures/ ? ? ¨ o i.e.

ö ö ö ö ? Ψ ö

Ĥ ö Ψ ö M N ö Ψ(R_{a}, r_{i}, t)

ih̄\frac{∂Ψ(R_{a}, r_{i}, t)}{∂t} = Ĥ(R_{a}, r_{i}, t)Ψ(R_{a}, r_{i}, t), a = 1, 2, ..., M; i = 1, 2, ..., N. (1)

i h̄ = h/2π(1.054572×

10^{−34}· t R_{a} r_{i} a i

Ĥ ö

ĤΨ_{k}(R_{a}, r_{i}) = E_{k}Ψ_{k}(R_{a}, r_{i}) (2)

E_{k} Ψ_{k}

Ψ(R_{a}, r_{i}, t) = ∑_{k} c_{k}Ψ_{k}(R_{a}, r_{i})e^{−iE_{k}t/h̄} (3)

c_{k} ?? Ψ_{0} E_{0} M N

Ĥ = T̂+

V̂ =

T̂_{n}+ T̂_{e}+ V̂_{nn}+ V̂_{ee}+

V̂_{ne} =

−\frac{1}{2} ∑_{a=1}^{M} \frac{1}{M_{a}} ∇_{a}^{2}− \frac{1}{2} ∑_{i=1}^{N} ∇_{i}^{2}+

∑{M \atop a=1} ∑{M \atop b>a} \frac{Z_{a}Z_{b}}{|R_{a}−R_{b}|}

+ ∑_{i=1}^{N} ∑_{j>i}^{N} \frac{1}{|r_{i}−r_{j}|}−

∑{M \atop a=1} ∑{N \atop i=1} \frac{Z_{a}}{|R_{a}−r_{i}|}

M_{a} a Z_{a} a

T̂_{n} T̂_{e} V̂_{nn} V̂_{ee} V̂_{ne}

∇^{2} a R_{a}_{a} a a ∇^{2}

∇^{2} = \frac{∂^{2}}{∂X_{a}^{2}} + \frac{∂^{2}}{∂Y_{a}^{2}} + \frac{∂^{2}}{∂Z_{a}^{2}} (4)

ö i.e. ö ö m_{p}m_{e} ≈ T_{n} ≪ _{e} i.e. ? i.e. T̂_{n} Ĥ

Ĥ_{e} = T̂_{e} + V̂_{nn} + V̂_{ee} + V̂_{ne} (5)

Ψ_{tot} ψ_{k}^{e}

ψ^{n}

Ψ_{tot}(R_{a}, r_{i}) = ∑_{k=1}^{∞} ψ_{k}^{e}(r_{i}; R_{a})ψ_{k}^{n}(R_{a})

(6)

ψ_{k}^{e} r_{i} R_{i} ö

Ĥ_{e}(R_{a}, r_{i})ψ_{k}^{e}(R_{a}, r_{i}) = E_{k}^{e}ψ_{k}^{e}(R_{a}, r_{i}) (7)