nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl...

12
qqTNEO[oSfF[oS(<^"tG HN&dvHNI%X&fF[oS(P@} ^9)-0*2jW[oS}fF Z(A:me!V(~&"aqLNHNg ?(z \dvHNGk$ &HN` 1 >$&5:u&5:u[oS 7 A &%UFnQF({kp[oS]Y& &UFdvHN4F({&$ yK&nQF&B&Dqw_='fF[o S 2 2μ 2 + V ( r) Ψ = EΨ (5.1.1) ]&ΨfFZE )-0*2&μ Ys %NNMc!Nbr 83R(h| m (< V(r)HN`Nn 6;l#&.,1+/0)-0*2%nQ r (< V ( r) = 1 4 πε 0 e 2 r (5.1.2) &83tG! k = (4πε 0 ) -1 (<&&~& fF[oS 2 2 m 2 k e 2 r Ψ = EΨ (5.1.3) & dvHNiC[Jhx$'&

Transcript of nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl...

Page 1: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

1

A

2

2μ∇2 +V (r)

⎝ ⎜

⎠ ⎟ Ψ = EΨ (5.1.1)

Ψ E μ

m V(r)

r

V (r) = −1

4πε0

e2

r (5.1.2)

k = (4πε0)-1

2

2m∇2 − k

e2

r

⎝ ⎜

⎠ ⎟ Ψ = EΨ (5.1.3)

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r

r f(r) x

∂f∂x

=df

dr

∂r∂x

(5.1.4)

r = x 2 + y 2 + z2

∂r∂x

=x

r (5.1.5)

∂f∂x

=df

dr

x

r (5.1.6)

x

∂2 f∂x 2

=∂∂x

df

dr

x

r

⎝ ⎜

⎠ ⎟ =

d2 f

dr2x

r

⎝ ⎜ ⎞

⎠ ⎟ 2

+df

dr

1

r2r −

x 2

r

⎝ ⎜

⎠ ⎟ (5.1.7)

∇2 f (r) =∂2

∂x 2+∂2

∂y 2+∂2

∂z2⎛

⎝ ⎜

⎠ ⎟ f (r)

=d2 f

dr2+ (3r − r)

1

r2df

dr=d2 f

dr2+2

r

df

dr (5.1.8)

2

2m

d2

dr2+2

r

d

dr

⎝ ⎜

⎠ ⎟ − k

e2

r

⎣ ⎢

⎦ ⎥ Ψ(r) = EΨ(r) (5.1.9)

C

(5.1.9) 1 2

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(5.1.9)

(5.1.9)

(5.1.9) Ψ(r) = Aexp(−ar)

d

drΨ(r) = −aAexp(−ar) = −aΨ(r)

d2

dr2Ψ(r) = a2Ψ(r) (5.1.10)

2

2ma2 −

2a

r

⎝ ⎜

⎠ ⎟ − k

e2

r= E (5.1.11)

E = −

2

2ma2

ke2 =

2

ma (5.1.12)

a =

mke2

2 (5.1.13)

E = −

mk 2e4

2 2 (5.1.14)

n = 1

1s

1s 1s 1s

n = 2 2s

Ψ(r) = B(1− br)exp(−cr) (5.1.9) b

c E

1s 2s

Page 4: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

1s 2s

0

(5.1.9) A B 0

A B

A

B r = (x, y, z) dV = dx dy dz

|Ψ(r) |2 dxdydz (5.1.15)

1

|Ψ(r) |2 dxdydz∫ =1 (5.1.16)

1 A B

1s

C

dV = r2 sinθdθdϕdr (5.1.17)

1 = dθ0

π

∫ dϕ dr0

∫0

∫ r2sinθ • A2 exp −2r

a0

⎝ ⎜

⎠ ⎟

⎣ ⎢

⎦ ⎥

Page 5: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

= 4π dr r2A2 exp −2r

a0

⎝ ⎜

⎠ ⎟

⎣ ⎢

⎦ ⎥

0

∫ (5.1.18)

A

A = ±1

πa03

(5.1.19)

D

1s 2s r 5.1

1s 2s

1s

2s

r

4πr2

r 1s 2s

5.2 1s

5.1 1s 2s

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5.2 1s 2s

1s

5.1.3)

Ψ(x,y,z) = Czexp(−dr) r = x 2 + y 2 + z2 n = 2

2s

∂Ψ∂x

= −dCzexp(−dr)∂r∂x

= −dx

rΨ (5.2.1)

x

∂2Ψ∂x 2

= −dx

r−d

x

⎝ ⎜

⎠ ⎟ +

1

r2r − x

x

r

⎝ ⎜

⎠ ⎟ Ψ

⎣ ⎢

⎦ ⎥ =

d

r3x 2(dr +1) − r2[ ]Ψ (5.2.2)

y x y z

Page 7: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

∂Ψ∂z

=1

z− d

z

r

⎝ ⎜

⎠ ⎟ Ψ (5.2.3)

∂2Ψ∂z2

=d

r3z2 dr +1( ) − 3r2[ ]Ψ (5.2.4)

∂2

∂x 2+∂2

∂y 2+∂2

∂z2⎛

⎝ ⎜

⎠ ⎟ Ψ = (dr − 4)

d

rΨ (5.2.5)

(5.1.3) 1s

d =

mke2

2 2 =1

2a0 (5.2.6)

E = −

mk 2e4

8 2 (5.2.7)

n = 2

2pz

2pz z z x

(5.1.3) 2pz

z 2pz

2px

2py 2p

2p

2p

2p

2s

2p

2pz z z =

0 z

Page 8: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

5.3 xy z = 0 py

2pz z

2py 5.3 y

(5.1.3)

n n

E = −

mk 2e4

2 2

1

n2 (5.2.8)

n n =∞ 0

n

Page 9: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

E∞ − E1 =

mk 2e4

2 2 (5.2.9)

2s 2p

0

0

l 0 n – 1 l

L2 = l(l +1)

l = 0, 1, 2, 3, 4, …

s, p, d, f, g …

1s 2s 2p

1s n = 1 l = 0

2p n = 2 l = 1

2p 3

m

–l l p l = 1 m = –1 0 1

px py pz

d

l = 2 5

Page 10: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

5.1 nm –––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––

H 0.11 N 0.15 O 0.140 F 0.135 P 0.19 S 0.185 Cl 0.180 As 0.20 Se 0.200 Br 0.195 Sb 0.22 Te 0.220 I 0.216

–––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––

0.053 nm 1s

5.1

0.170 nm

5.2

Page 11: nm ' Q Sm L[yN Z ^ & Q i L[yN Z Z ' ,-5 j # L[ L[ ~ o q k^@ C (' L[ k^@ 1+5603647 3.Ic XP Q OL[ Vl Ic*G&f' $ Bv ( ' $ q" L[ Ic* q"h $ Y _ =ed ' F % Ic*sW > : P x 'M d ' ...

5.2 nm ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––

Li+ 0.060 O2- 0.140 F- 0.136 Na+ 0.095 S2- 0.184 Cl- 0.181 K+ 0.133 Se2- 0.194 Br- 0.195 Rb+ 0.148 Te2- 0.221 I- 0.216 Cs+ 0.169

––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––

A B

AB

A2 B2

5.3

5.3 nm

–––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– H 0.030 C 0.077 N 0.070 O 0.066 F 0.064 Si 0.117 P 0.110 S 0.104 Cl 0.099 Ge 0.122 As 0.121 Se 0.117 Br 0.114 Sn 0.140 Sb 0.141 Te 0.137 I 0.133 ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––

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1976

D.A. J.D.

1999

L. 3

1974

© K. Saito, 06/05/2010