Forskellen på singlet og triplet atomtilstande
Forskellen på singlet og triplet atomtilstande
Forskellen på singlet og triplet atomtilstande
Create successful ePaper yourself
Turn your PDF publications into a flip-book with our unique Google optimized e-Paper software.
ψ 1(r1, r2) = ϕ(r1)ϕ(r2). <br />
<br />
<br />
<br />
ψ(r1, r2; ms1 , ms2 ) = −ψ(r2, r1; ms2 , ms1 ), <br />
<br />
<br />
<br />
ψS(r1, r2; ms1 , ms2 ) = ϕ(r1)ϕ(r2)χS(ms1 , ms2 ), <br />
χS(ms1 , ms2 ) <br />
<br />
<br />
<br />
ˆ Sz <br />
ˆ Sz ms¯h ms <br />
1<br />
2<br />
− 1<br />
2 |ms〉. <br />
<br />
1 1<br />
= ,<br />
2 0<br />
<br />
<br />
<br />
−1 <br />
0<br />
= .<br />
2 1<br />
<br />
<br />
χ(ms) <br />
1<br />
0<br />
ms = 1<br />
<br />
2 , <br />
0<br />
1<br />
<br />
ms = − 1<br />
2 . <br />
r1 r2 <br />
| 1<br />
2 〉 | ↑〉) <br />
<br />
<br />
<br />
1<br />
2<br />
<br />
1<br />
= | ↑〉1 =<br />
0<br />
, <br />
1<br />
<br />
1
|χS〉 = 1<br />
√ 2 (| ↑〉1| ↓〉2 − | ↓〉1| ↑〉2) . <br />
<br />
〈χS|χS〉 = 1<br />
=<br />
<br />
<br />
<br />
1〈↑ |2〈↓ | −1 〈↓ |2〈↑ | | ↑〉1| ↓〉2 − | ↓〉1| ↑〉2<br />
2<br />
1<br />
<br />
<br />
1〈↑ | ↑〉1〈↓2 | ↓2〉 −1 〈↑ | ↓〉1 2〈↓ | ↑〉2 −1 〈↓ | ↑〉1 2〈↑ | ↓〉2 +1 〈↓ | ↓〉1 2〈↑ | ↑〉2<br />
2<br />
= 1. <br />
ϕ(x); <br />
+ , <br />
<br />
ES = 〈ψS|H|ψS〉. <br />
<br />
〈ψS|H|ψS〉 |ψS〉 = |ϕ(r1)ϕ(r2)〉|χS〉 <br />
<br />
ES = 〈ψS|H|ψS〉<br />
= 〈ϕ(r1)ϕ(r2)|〈χS| ˆ H|χS〉|ϕ(r1)ϕ(r2)〉<br />
= 〈ϕ(r1)ϕ(r2)| ˆ <br />
H|ϕ(r1)ϕ(r2)〉 〈χS|χS〉 . <br />
<br />
=1<br />
ˆH = ˆ H1 + ˆ H2 + Vee, <br />
ˆ Hi = ˆp 2 i /2me − 2e 2 /(4πε0r1) i <br />
Vee <br />
〈ϕ(r1)ϕ(r2)| ˆ H|ϕ(r1)ϕ(r2)〉 = 〈ϕ(r1)ϕ(r2)| ˆ H1 + ˆ H2 + Vee|ϕ(r1)ϕ(r2)〉<br />
=1<br />
= 〈ϕ(r1)| ˆ <br />
H1|ϕ(r2)〉 〈ϕ(r2)|ϕ(r2)〉 +〈ϕ(r2)| ˆ <br />
H2|ϕ(r2)〉 〈ϕ(r1)|ϕ(r1)〉<br />
+〈ϕ(r1)ϕ(r2)|Vee|ϕ(r1)ϕ(r2)〉<br />
= 2〈ϕ(r1)| ˆ H1|ϕ(r1)〉 + 〈Vee〉 <br />
〈Vee〉 <br />
〈Vee〉 =<br />
<br />
dr1dr2 ϕ ∗ (r1)ϕ ∗ e<br />
(r2)<br />
2<br />
4πε0|r1 − r2| ϕ(r1)ϕ(r2)<br />
=<br />
<br />
dr1dr2 |ϕ(r1)| 2 |ϕ(r2)| 2 e2 ,<br />
4πε0|r1 − r2|<br />
<br />
ψ(x) = 〈x|ψ〉, <br />
χ(ms) χ(ms) = 〈ms|χ〉. |χS〉 χS(ms1,ms2) <br />
χS(ms1,ms2) = 〈ms1|〈ms2|χS〉 = δms1 , 1 δms2 ,−<br />
2<br />
1 − δms1 ,−<br />
2<br />
1 δms2 ,<br />
2<br />
1 .<br />
2<br />
<br />
=1
|ϕ(r1)| 2 |ϕ(r1)| 2<br />
<br />
<br />
<br />
ψ200(r), <br />
n l <br />
ψ100(r) ψ200(r) :<br />
ψ100(r) =<br />
ψ200(r) =<br />
<br />
1<br />
π (az ) 3<br />
exp(−r/a z ) <br />
1<br />
<br />
2 − r<br />
az <br />
exp(−r/2a z ), <br />
<br />
4 2π (az ) 3<br />
a z <br />
a z <br />
a z = a/2, a <br />
<br />
ˆH1ψ100(r1) = E z 1ψ100(r1), ˆ H1ψ200(r1) = E z 2ψ200(r1). <br />
ψ100 ψ200<br />
<br />
<br />
<br />
ψ ∗ 1<br />
S(r1, r2; ms1 , ms2 ) = √ [ψ100(r1)ψ200(r2) + ψ200(r1)ψ100(r2)] χS(ms1 , ms2 ), <br />
2<br />
<br />
<br />
<br />
ψ ∗ Tm (r1,<br />
1<br />
r2; ms1 , ms2 ) = √ [ψ100(r1)ψ200(r2) − ψ200(r1)ψ100(r2)] χTm (ms1 , ms2 ). <br />
2<br />
<br />
|χT−1 〉 = | ↓〉1| ↓〉2, <br />
|χT0 〉 =<br />
1<br />
√ (| ↑〉1| ↓〉2 + | ↓〉1| ↑〉2) ,<br />
2<br />
<br />
|χ T1 〉 = | ↑〉1| ↑〉2. <br />
a z a a/2.<br />
<br />
↑1↑2, ↑1↓2, ↓1↑2, ↓1↓2 . <br />
m = 0
z <br />
−(2e¯h/me)mB0. <br />
<br />
<br />
<br />
<br />
E ∗ S = 1<br />
2 〈ψ100(r1)ψ200(r2)+ψ200(r1)ψ100(r2)| ˆ H1+ ˆ H2+Vee|ψ100(r1)ψ200(r2)+ψ200(r1)ψ100(r2)〉,<br />
E ∗ T = 1<br />
2 〈ψ100(r1)ψ200(r2)−ψ200(r1)ψ100(r2)| ˆ H1+ ˆ H2+Vee|ψ100(r1)ψ200(r2)−ψ200(r1)ψ100(r2)〉.<br />
〈H1〉 <br />
〈 ˆ H1〉S,T = 1<br />
=1<br />
<br />
2 〈ψ100(r1)| ˆ H1|ψ100(r1)〉 〈ψ200(r2)|ψ200(r2)〉<br />
± 1<br />
± 1<br />
+ 1<br />
= 1<br />
2<br />
ˆ H2, <br />
=0<br />
<br />
2 〈ψ200(r1)| ˆ H1|ψ100(r1)〉 〈ψ100(r2)|ψ200(r2)〉<br />
=0<br />
<br />
2 〈ψ100(r1)| ˆ H1|ψ200(r1)〉 〈ψ200(r2)|ψ100(r2)〉<br />
=1<br />
<br />
2 〈ψ200(r1)| ˆ H1|ψ200(r1)〉 〈ψ100(r2)|ψ100(r2)〉<br />
<br />
〈ψ100(r1)| ˆ H1|ψ100(r1)〉 + 〈ψ200(r1)| ˆ H1|ψ200(r1)〉<br />
= 1<br />
2 (Ez 1 + E z 2) , <br />
〈 ˆ H1 + ˆ H2〉S,T = E z 1 + E z 2, <br />
<br />
<br />
〈Vee〉S,T = 1<br />
2 〈ψ100(r1)ψ200(r2)±ψ200(r1)ψ100(r2)|Vee|ψ100(r1)ψ200(r2)±ψ200(r1)ψ100(r2)〉<br />
= 〈ψ100(r1)ψ200(r2)|Vee|ψ100(r1)ψ200(r2)〉 ± 〈ψ200(r1)ψ100(r2)|Vee|ψ100(r1)ψ200(r2)〉<br />
= U ± J, <br />
U J<br />
U :<br />
<br />
U =<br />
=<br />
<br />
dr1dr2 ψ ∗ 100(r1)ψ ∗ 200(r2)<br />
dr1dr2 |ψ100(r1)| 2 |ψ200(r2)| 2<br />
<br />
e 2<br />
4πε0|r1 − r2| ψ100(r1)ψ200(r2)<br />
e2 , <br />
4πε0|r1 − r2|
|ψ100(r1)| 2 |ψ200(r2)| 2 , <br />
J <br />
<br />
J =<br />
<br />
dr1dr2 ψ ∗ 100(r1)ψ ∗ e<br />
200(r2)<br />
2<br />
4πε0|r1 − r2| ψ200(r1)ψ100(r2)<br />
=<br />
<br />
dr1dr2 [ψ ∗ 100(r1)ψ200(r1)] [ψ ∗ e<br />
200(r2)ψ100(r2)]<br />
2<br />
.<br />
4πε0|r1 − r2|<br />
<br />
J ψ100(r1) ψ200(r1) <br />
U J <br />
J <br />
<br />
<br />
r1 = r2, <br />
<br />
<br />
<br />
<br />
ES ET <br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
ˆHZ = (−e/me)Bz<br />
ˆSz1 + ˆ Sz2<br />
<br />
. <br />
|χ T−1 〉, |χ T0 〉, |χ T1 〉 |χ S 〉, ˆ Hz, <br />
<br />
ˆHZ|χ T−1 〉 = ˆ <br />
HZ| ↓〉1| ↓〉2 = (−e/me)Bz<br />
ˆSz1 + ˆ <br />
Sz2 | ↓〉1| ↓〉2, <br />
Sz = Sz1 + Sz2 S 2 = (S1 + S2) 2 .
ˆ Sz1 | ↓〉1 <br />
<br />
<br />
(−e/me)B0<br />
ˆSz1 + ˆ <br />
Sz2 | ↓〉1| ↓〉2 =<br />
<br />
(−e/me)Bz | ↓〉2 ˆ Sz1| ↓〉1 + | ↓〉1 ˆ =<br />
<br />
Sz2| ↓〉2<br />
<br />
−¯h<br />
(−e/me)Bz | ↓〉2<br />
2 | ↓〉1<br />
=<br />
<br />
−¯h<br />
+ | ↓〉1 | ↓〉2<br />
2<br />
<br />
−¯h −¯h<br />
(−e/me)Bz + | ↓〉1| ↓〉2<br />
2 2<br />
= −e¯hBz<br />
me<br />
| ↓〉1| ↓〉2 = −e¯hBz<br />
|χT,−1〉. <br />
me<br />
<br />
<br />
ETm =<br />
<br />
−e¯hBz<br />
m<br />
me<br />
<br />
, <br />
ES = 0. <br />
ψTm Bz = 0, <br />
Bz = 0. Bz <br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
<br />
l = 0 l = 1 l = 2 <br />
<br />
<br />
l = 0
✻<br />
✟ ✟<br />
✟ ✟<br />
4 1 <br />
3 1 <br />
2 1 <br />
1 1 <br />
<br />
4 1 <br />
3 1 <br />
2 1 <br />
4 1 <br />
3 1 <br />
4 3 <br />
3 3 <br />
2 3 <br />
4 3 <br />
3 3 <br />
2 3 <br />
4 3 <br />
3 3 <br />
n = 4<br />
n = 3<br />
n = 2<br />
<br />
E = 0 <br />
+ E1 <br />
<br />
U J <br />
z