Hm sng v phng trnh Schroedinger

L L Ngy 4 thng 7 nm 2009

Tm tt ni dung c th hiu su v ha hc hoc c th nghin cu v l thuyt ha hc, chng ta phi c nhng hiu bit nht nh v Ha hc tng t . Tuy nhin, y l mt mn hc kh v bn cnh nhng kin thc v vt l v ha hc, n cn yu cu ngi hc phi c mt nn tng ton hc tt. Cch tt nht lm quen vi nhng cng thc ton trong lng t l bt u t hm sng v phng trnh sng.

Hm sng trong c hc lng t

Trong c hc c in, khi nim trng thi (state) ca mt ht ngha l s nh r v tr v tc ca n ti mt thi im bt k v cc lc ang tc dng ln ht . Theo nh lut hai Newton, nu cho trc trng thi ca mt h bt k ta s xc nh chnh xc trng thi ca n trong tng lai. Tuy nhin, i vi ht vi m th ta khng th ng thi xc nh chnh xc v tr v tc ca n1 . Ngha l, da vo c hc c in th khng th d on c s chuyn ng ca ht vi m trong tng lai. Do , chng ta phi da vo c hc lng t d on chnh xc hn s chuyn ng ca ht trong tng lai. Trong c hc lng t, trng thi ca mt h c m t bi hm sng hay hm trng thi . Bi v trng thi ca h, thng thng, thay i theo thi gian, nn cng l mt hm theo thi gian. i vi h mt ht chuyn ng trong khng gian mt chiu, chng ta c = (x, t). Hm sng cha ng tt c nhng thng tin kh d ca h nn thay v ni "trng thi c m t bi hm sng ", chng ta n gin ch ni "trng thi ". xc nh trng thi trong tng lai ca ca mt h theo c hc lng t chng ta cng phi bit trng thi hin ti v mt phng trnh cho chng ta bit s thay i ca hm sng theo thi gian. Phng trnh c ngh nh sau:
1

2 2 (x, t) (x, t) = + V (x, t)(x, t) i t 2m x2

(1)

nguyn l bt nh Heisenberg

trong hng s Plank rt gn =

c xc nh bi h 2 (2)

Phng trnh (1) c nh vt l ngi o Schroedinger a ra vo nm 1926 v c gi l phng trnh Schroedinger ph thuc thi gian hay phng trnh sng Schroedinger. Trong (1), i = 1, c gi l s phc hay s o; m l khi lng ca ht; V (x, t) l hm th nng ca h. Phng trnh Schroedinger ph thuc thi gian cha o hm bc nht ca hm sng theo thi gian. N cho php chng ta xc nh hm sng ti bt k thi im no trong tng lai, nu ta bit c hm trng thi ti thi im t0 . Hm sng cha ng tt c nhng thng tin m ta cn bit v mt h m n m t. Tuy nhin, chng ta khng th hi vng rng s lin h vi v tr chnh xc ca ht ging nh c hc c in m t. Ngay sau khi Schroedinger khm ph ra phng trnh sng, Born a ra gi nh 2 rng |(x, t)|2 dx (3)

l xc sut tm thy ht dc theo trc x trong vng t x n (x + dx). Hm |(x, t)|2 c gi l mt xc sut tm thy ht nhng v tr khc nhau theo trc x. V d, gi s ti thi im t0 ht trong trng thi c m 2 t bi hm sng = aebx , vi a v b l nhng hng s thc. Mt xc 2 sut tm thy ht ti thi im t0 dc theo trc x l a2 e2bx .

Phng trnh Schroedinger khng ph thuc thi gian

Phng trnh Schroedinger (1) kh l phc tp. Tuy nhin, i vi nhiu p dng ca c hc lng t vo ha hc, n t khi c s dng, thay vo , phng trnh n gin hn c s dng; l phng trnh Schroedinger khng ph thuc thi gian. Chng ta s thit lp phng trnh Schroedinger khng ph thuc thi gian da vo phng trnh Schroedinger ph thuc thi gian, cho trng hp mt ht trong khng gian mt chiu. Chng ta bt u bng cch gii hn th nng V l hm khng ph thuc thi gian t, ch ph thuc ta x. Phng trnh Schroedinger ph thuc thi gian trong trng hp ny l
2 2 (x, t) (x, t) = + V (x)(x, t) i t 2m x2

(4)

Gi s nghim ca (4) c th c vit di dng tch ca hm theo thi gian v hm theo ta (x, t) = f (t) (x)
2

(5)

khi mi lm quen vi c hc lng t, ta phi chp nhn mt s gi nh

Ly o hm (5) theo t (x, t) df (t) = (x) t dt v o hm bc hai theo x d2 (x) 2 (x, t) = f ( t ) x2 dx2 Th (6) v (7) vo (4), ta c
2 df (t) d2 (x) + V (x) (x)f (t) (x) = f (t) i dt 2m dx2

(6)

(7)

(8)

Chia hai v (8) cho f (t) (x), ta c

2 1 df (t) 1 d2 (x) = + V (x) i f (t) dt 2m (x) dx2

(9)

Nhn vo (9) ta thy v phi khng ph thuc vo t; trong khi v tri khng ph thuc vo x. Nh vy phng trnh khng ph thuc vo c x v t; n phi bng mt hng s. t hng s ny l E
2 1 df (t) 1 d2 (x) =E= + V (x) i f (t) dt 2m (x) dx2

(10)

Xt v tri ca phng trnh df (t) iE = dt f (t) Ly tch phn c hai v phng trnh theo t, ta c lnf (t) = iEt +C (12) (11)

vi C l hng s tch phn. T , ta c f (t) = eC eiEt/ = AeiEt/ Hng s A c th c nhn vo hm (x). Nh vy, ta c f (t) = eiEt/ Tip theo, ta xt v phi ca phng trnh (10) E= 1 d2 (x) + V (x) 2m (x) dx2 3
2

(13)

(14)

Suy ra d2 (x) + V (x) (x) = E (x) 2m dx2

2

(15)

Phng trnh (15) c gi l phng trnh Schroedinger khng ph thuc thi gian cho mt ht c khi lng m di chuyn trong khng gian mt chiu. N c dng tm nng lng cng nh hm sng cho rt nhiu h khc nhau. Ta c th vit li (15) nh sau d2 (x) 2m + 2 [E V (x)] (x) = 0 dx2 (16)

Hng s E c im g c bit? Ta thy E xut hin trong biu thc [E V (x)], nn n cng th nguyn vi th nng V . Ngha l, E cng th nguyn vi nng lng. Tht vy, E chnh l nng lng ca h. Nh vy, tn ti cc hm sng c dng (x, t) = eiEt/ (x) (17)

Hm sng (17) l hm phc. Bnh phng tr tuyt i ca mt s phc l tch ca n vi lin hp phc 3 ca n. Nh vy, mt xc sut |(x, t)|2 c tnh nh sau ||2 = (18) trong du sao ( ) k hiu cho lin hp phc. i vi hm sng (17), ta c |(x, t)|2 = [eiEt/ (x)] eiEt/ (x) = eiEt/ [ (x)] eiEt/ (x) y ta gi s E l s thc nn E = E . Ta c eiEt/ eiEt/ = e0 = 1 Do , (19) tr thnh: |(x, t)|2 = [ (x)] (x) = | (x)|2 (20) (19)

Nh vy, nu nghim (x, t) ca phng trnh Schroedinger ph thuc thi gian l tch ca hm theo thi gian v hm theo ta (x, t) = eiEt/ (x) vi nng lng E l hng s, th mt xc sut l | (x)|2 v khng i theo thi gian. Nhng trng thi nh th ny c gi l trng thi tnh (stationary state). Hm (x) cng c gi l hm sng, mc d hm sng y ca mt trng thi tnh l eiEt/ (x). Trng thi tnh trong trng
3

Lin hp phc ca i = i.

hp ny c hiu l mt xc sut |(x, t)|2 khng thay i theo thi gian, ch khng phi ht khng thay i. Phng trnh Schroedinger (15) cha hai n s l nng lng c php E v hm sng . gii phng trnh cha hai n, chng ta cn p t thm mt s iu kin (c gi l iu kin bin - boundary conditions ) ln bn cnh yu cu n tha mn (15); iu kin bin xc nh nng lng cho php E ca h nn ch nhng gi tr xc nh ca E th mi ph hp vi iu kin bin.

3
3.1

S chun ha hm sng
Xc sut

S chun ha hm sng c lin quan n xc sut tm thy ht trong khng gian. V vy, trc ht ta s gii thiu s lc v ca xc sut. C nhiu khi nim a ra nh ngha xc sut. y, chng ta nh ngha xc sut theo li thng k: Thc hin php th n ln. Gi s bin c m A xut hin m ln. Khi , m c gi l tn s ca bin c A v t s n c gi l tn s xut hin bin c A trong lot php th. Cho s php th tng ln v hn, tn s xut hin bin c A dn v mt s xc nh gi l xc sut ca bin c A m PA = lim n n V d, sau 1000 ln i qua ng t, c 200 ln gp n . Khi , xc 200 1 sut gp n l = . 1000 5 Trong trng hp nu php th c nhiu bin c xut hin th php tnh xc sut s phc tp hn. V d, trong mt hp cha 10 vin bi, trong c 4 vin mu xanh v 6 vin mu . Ln lt ly ra 2 vin bi, khng hon li. Trong trng hp ny, xc sut hai vin bi u mu c tnh nh sau. 6 Ta thy xc sut ln ly th nht c vin bi mu l . V ly 10 khng hon li, nn sau ln ly th nht, s vin bi cn li trong hp l 9, trong cn li 5 vin mu , gi s ln ly th nht ta c vin mu 5 . Do , xc sut ln ly th hai cng vin bi mu s l . Nh 9 vy, tng cng ta c 5 6 = 30 ln s thu c vin bi mu trong tng s 9 10 = 90 ln th. Kt qu xc sut thu c hai vin bi u mu l P = 6 5 30 1 = = 10 9 90 3

Xc sut trong c hc lng t thng lin quan n mt bin lin tc, l ta x. Khng c nhiu ngha nu chng ta ni rng xc sut ca mt ht c tm thy ti mt im c th no , chng hn ti x = 0, 500. 5

Thay vo , ta s ni xc sut tm thy ht trong mt khong nh trn trc x t x n x + dx. Xc sut s t l thun vi gi tr dx v s thay i theo nhng vng khc nhau trn trc x. V vy, xc sut tm thy ht t x n x + dx s l mt hm bin thin theo x, v d g (x). Hm g (x) c gi l mt xc sut, v n l xc sut trn mt n v chiu di. Bi v xc sut phi l mt s thc, khng m nn g (x) cng phi l hm thc v khng m ti mi im. Hm sng c th nhn gi tr m v cng c th l hm phc nn khng phi l hm mt xc sut. Theo c hc lng t, hm ||2 l hm mt xc sut.

3.2

S chun ha hm sng

Xc sut tm thy ht trong vng a x b c tnh bng cch ly tch phn ||2 theo bin x t a b
b

||2 dx
a

(21)

Bi v xc sut tm thy mt ht trong ton b khng gian l bng n v nn chng ta c yu cu

+

||2 dx = 1

(22)

Khi hm tha mn iu kin trn th c gi l chun ha . Nu hm khng chun ha nhng tha mn yu cu sau
+

||2 dx = 2

(23)

vi 2 l s khng m ty , th khi hm c xc nh bi 1 1 = = 2 l hm chun ha. Tht vy

+

(24)

||2 dx =

1 2

||2 dx =

1 2 = 1 2

Nh vy, (x, t) c th l hm sng, trc ht n phi kh tch bnh

2

phng; ngha l (x, t)

phi c tch phn. Hn na, tch phn ca n

phi xc nh. V vy, (x, t) phi dn v zero khi x . Tng t, o hm phi dn v zero khi khi x . x Ngoi yu cu kh tch bnh phng, hm sng cn phi n tr v lin tc. Xc sut tm thy ht ti mt im c th khng th c hai gi tr khc 6

nhau nn phi n tr. chc chn n tr, ta yu cu n tr. Bn cnh yu cu hm sng phi lin tc, ta thng c thm yu cu l cc o hm ring phn ca n /x, /y, . . . cng lin tc. Mt hm tha mn nhng iu kin nh trn c gi l hm hon ho (ting Anh well-behaved ).

Nguyn l chng cht trng thi

Phng trnh Schroedinger l mt phng trnh vi phn tuyn tnh. V vy, nu 1 v 2 l hai nghim ca phng trnh Schroedinger, th c1 1 , c2 2 (vi c1 , c2 l nhng hng s) v c xc nh bi = c1 1 + c2 2 (25)

cng l nghim ca phng trnh Schroedinger. Nguyn l ny cn c gi l nguyn l chng cht. p dng ca nguyn l chng cht trong c hc lng t c tm tt nh sau: Nu 1 v 2 l nhng hm sng ng vi hai trng thi ca h th trng thi c m t bi = c1 1 + c2 2 (26) cng l mt trng thi ca h. D nhin, chng ta c th m rng s trng thi nhiu hn hai. Nu l hm sng ca mt trng thi th k , vi k l hng s, cng l mt hm sng ca trng thi . V d, t phng trnh (24), ta thy hai 1 1 hm sng v tng ng nhau, chng u m t mt trng thi 1 ca h. Tuy nhin, theo thi quen, ta thng ch chn .

5
5.1

S phc
Dng i s ca s phc

Nu i = 1, ta c th biu din mt s phc hay s o z di dng biu thc z = x + iy , vi x v y l nhng s thc. S thc x c gi l phn thc ; s thc y c gi l phn o ca s phc z . Phn thc ca s phc z = x + iy c k hiu l Re(z). Phn o ca s phc z = x + iy c k hiu l Im(z). Hai s phc c gi l bng nhau nu chng c phn thc v phn o tng ng bng nhau. V d: Tm phn thc v phn o ca s phc z = (3 + 5i) + (2 3i)

Hng dn: z = (3 + 5i) + (2 3i) = (3 + 2) + (5i 3i) = (5 + 2i) Vy Re(z ) = 5 v Im(z ) = 2 Cho z = x + iy , th s phc z = x iy c gi l s phc lin hp hay lin hp phc ca s phc z = x + iy V d: Tm lin hp phc ca s phc z = (2 + 3i)(4 2i)

Hng dn: z = (2 + 3i)(4 2i) = (8 4i + 12i 6i2 ) = (8 + 8i + 6) = (14 + 8i) Nh vy z = 14 8i

5.2

Dng lng gic ca s phc

Mt cch biu din khc ca s phc z l da vo mt phng o (phc) xOy . Cho s phc z = x + iy v OA l vect biu din hnh hc ca z trn mt phng xOy . di r = |OA| ca vect OA c gi l tr tuyt i (absolute value) hay modulus ca s phc z , k hiu l |z |. Gc c to bi OA v trc x c gi l phase hay agurment ca z . y
T

Trc o y
 r

Ex

Trc thc

Ta c: |z | = r = x2 + y 2 y = r sin 8 x = r cos y tan = x

Nh vy, ta c th vit z = x + iy = hay z = r(cos + i sin ) = r cos + ir sin y l dng lng gic ca s phc. V d: Tm dng lng gic ca s phc z = 1 + i 3 Ta c x = 1; y = cos = 3 v r = (1)2 + 3 = 2. Nh vy: (28) x2 + y 2 ( x x2 + y 2 + iy x2 + y 2 ) (27)

Hng dn:

x 1 = r 2

3 b sin = = r 2 Vy = Dng lng gic z = r cos + ir sin = 2(cos 2 2 + i sin ) 3 3 (29) 2 3

Hai s phc dng lng gic c gi l bng nhau khi r1 = r2 v 1 = 2 + 2k . Khi nhn hai s phc dng lng gic, tr tuyt i nhn vi nhau cn gc th cng li z1 z2 = r1 r2 [cos(1 + 2 ) + i sin(1 + 2 )] (30)

5.3

Dng m ca s phc

Dng m ca s phc c th c thit lp nh sau. t f () l hm tha iu kin f () = (cos + i sin )ei (31) Ly o hm (31) theo , ta c d d d f () = (cos + i sin ) ei + ei (cos + isin) d d d p dng (sin x) = cos x; (cos x) = sin x; 9 (eax ) = aeax (32)

Ta suy ra f () = (cos + i sin )(i)ei + ei ( sin + i cos ) Sau khi n gin (33), ta c f ( ) = 0 Nh vy f () phi l hm khng thay i theo . Bi v f (0) c xc nh, nn ta lun c f () = f (0). Hay (cos + i sin )ei = (cos 0 + i sin 0)ei0 = e0 = 1 Nhn hai v (34) vi ei , ta c (cos + i sin )ei ei = ei v ei ei = e0 = 1, nn (35) tr thnh (cos + i sin ) = ei hay z = r(cos + i sin ) = rei y chnh l dng m ca s phc. Khi , lin hp phc ca z l z = x iy = rei (38) (37) (36) (35) (34) (33)

Nu z l s thc th phn o ca n phi l zero. Vy nn z ch l s thc khi v ch khi z = z . Ly tch ca z vi lin hp phc ca n z = z , ta c zz = (x + iy )(x iy ) = (x2 i2 y 2 ) = x2 + y 2 = r2 = |z |2 (39)

Khi thc hin cc php ton i vi s phc, n gin chng ta nn dng dng m. Mun tm dng m t dng i s ta chuyn dng i s sang dng lng gic trc. V d: Tm dng m ca z = 3 + i Ta c dng lng gic z = 2(cos Vy dng m l z = 2ei5/6 5 5 + i sin ) 6 6

Hng dn:

10

Bi tp
1. Mt hp cha 100 vin bi, trong c 60 vin nng 14 gam v 40 vin nng 15 gam. Tnh xc sut sau hai ln bc lin tip (khng hon li) ta c hai vin bi c khi lng tng cng l (a) 28 gam; (b) 30 gam; (c) 29 gam. 3 2ix 2. Cho c = e . Tnh |c|2 . 2 3. Tm dng lng gic ca (a) z = e2+i ; (b) z = ea+i/2 . 4. Tm tr tuyt i v phase ca: (a) i; (b) aei/3 ; (c) 1 2i. 5. Cho hm phc z = aeim . Vi a v m l nhng hng s thc. a) Tnh |z |2 . b) Vit phng trnh dng lng gic ca z . 6. Cho bit hm sau y chun ha f (x) = b
1/4

ebx

2 /2

Trong b l hng s thc. p dng iu kin chun ha, tnh tch phn
0

ebx dx

7. Nu 1 , 2 v = c1 1 + c2 2 l nhng nghim ca mt phng trnh Schroedinger th chng s chun ha v trc giao vi nhau ; ngha l
1 1 dx = 2 2 dx =

dx = 1

1 2 dx =

2 1 dx = 0

T tnh chun ha v trc giao ca hm sng, hy chng minh a. Tng bnh phng tr tuyt i cc h s c1 , c2 bng n v |c1 |2 + |c2 |2 = 1 b. Nng lng ca trng thi 1 c tnh nh sau

E1 =

d2 1 (x) + V (x)1 (x) dx 2m dx2

11