ieish 5

mrudKql ldlaIsl j, yev

mgqk
ye¢kaùu
5.1 mrudKql ldlaIsl j, .Ks;uh Ys%;
5.2 O%eùh m%ia:dr hkq fudkjd o@
5.3 yhsv%cka mrudKqfõ wÍh jHdma; Ys%;h
5.4 yhsv%cka mrudKqfõ fldaKsl jHdma; Ys%;h
5.5 bf,lafg%dak >k;ajh
5.6 nyq bf,lafg%dak mrudKq j, ldlaIsl
5.7 iM, kHIaál wdfrdamKh
5.7.1 bf,lafg%dak ksjdrKh iy Slater kshuhka
idrdxYh
wNsu;d¾:

ye|skaùu
Schodinger iólrKfha úi÷ï yryd mrudKql ldlaIshka ms,sn| woyia
,nd .ekSug yels nj Tn miq.sh ieisfha § wOHhkh lf<ah' tfiau tajd
bf,lafg%dakhl f.da,Sh O%ejl LKavdxl j, (spherical polar coordinates)
Ys%;hka o jk nj;a bf.k .;af;ah. ;jo, ldlaIslhlg ,dlaIKsl n,l,m
hk lafjdkafgdï wxl ;=k o tajdfha jeo.;alu o miq.sh ieisfha § i,ld
n,k ,oS. fuu ieisfha§ Tn mrudKql ldlaIsl j, úúO yev .ek
iúia;rd;aulj wOHhkh lrkq we;.
fï jk úg fuu fmdf;a weuqKqfuys (Appendix) wvx.= f.da,Sh O%eùh wlaI
ms<sn|j we;s úIh lreKq Tn fyd¢ka lshjd f;areï f.k we;ehs is;uq. tu
oekqu fuu mßÉfÊoh we;s oE f;areï .ekSug jeo.;a fõ. fï jk úg tu
lreKq wOHhkh lr ke;skï fuu ieish wOHhkhg fmr Tn th lshjd
f;areï .; hq;=h.

5.1 ldlaIsl j, .Ks;uh Ys%;

Schrodinger iólrKfha úi|qï bf,lafg%dakhl f.da,Sh O%ejl LKavdxl (r,
ɵ,ɸ ) j, .Ks;uh Ys%; fõ. fuu úi÷ï uÕska yhsv%cka mrudKqfõ
ldlaIslhka úia;r lrhs. Schrodinger iólrKh úi£fuka ,nd.; yels
H - mrudKqfõ ldlaIslhkaf.a .Ks;uh wdldr 5.1 j.=fõ olajd we;. ta
i|yd fhdodf.k we;s tall jkqfha mrudKql tallhs.

59
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

j.=j 5.1: yhsv%cka mrudkqfõ ldlaIslhkaf.a .Ks;uh wdldr

ldlaIslh laafjdkagï wxl O%eùh Y%s;
n l m wÍh lrx. Y%s;h fldaKsl ;rx. Y%s;h
1s 1 0 0
e- r
2s 2 0 0 (32)-1/2 (2-r)e- r/2
2pz 2 1 0
(32)-1/2 r e - r/2 Cos θ
2px 2 1 1 Sin θ Cosϕ
(32) -1/2 r e- r/2
2py 2 1 -1 Sin θ Cosϕ
(32) -1/2 r e- r/2

by; j.=j fyd¢ka wOHhkh lrkak. S ldlaIslhka yer iEu ldlaIslhlau

lsishï ÿr m%udKhla (r) u; r|d mj;sk fldgil yd (ɵ,ɸ)fldaK u; r|d
mj;sk fldaKsl fldgil o .=Ks;hla jk nj Tng fmfkkq we;.
WodyrKhla f,i 2pz ldlaIslfha O%eùh Ys%;h (32)-1/2 re- r/2 Sin θ Cos ф
wdldrfha fõ. fuys (32)-1/2 re- r/2 fldgi r|d mj;skafka r ^ÿr m%udKh& u;
muKla jk w;r Sin θ Cos ф fldgi θ yd ф hk fldaK u; r|d mj;S.
ldlaIslfha r ÿr m%udKh u; r|d mj;sk fldgi ldlaIslfha wÍh fldgi
fyda wÍh Ys%;h f,i y|qkajkq ,efí. fuh idudkHfhka R(r) f,i ,shkq
,nk w;r thska th r ys Ys%;hla nj fmkajhs. tf,iu, θ yd ф u; r|d
mj;sk fldgi ldlaIslfha fldaKsl fldgi fyda fldaKsl Ys%;h f,i
y|qkajhs. fuh idudkHfhka A(θ, ф) f,i ,shkq ,nk w;r thska th θ
yd ф ys Ys%;hla nj fmkajhs.
fï wkqj (32)-1/2 r e-r/2 ldlaIslfha wÍh fldgi jk w;r Sin θ Cos ф hkq
ldlaIslfha fldaKsl fldgi fõ.
m% : 5.1 j.=fõ we;s o;a; Wmfhda.S lr.ksñka, my; ldlaIsl j, wÍh Ys%;
yd fldaKsl Ys%; y|qkd.kak.
(i) 1s (ii) 2s (iii) 2py

ms : (i) wÍh YS%;h e- r fõ. fuys fldaKsl Ys%;hla ke;.

(ii) wÍh Ys%;h (32)-1/2 (2-r) e- r/2 fõ. fuys fldaKl
s Y%s;hla ke;.
(iii) wÍh Ys%;h (32)-1/2 r e- r/2 fõ. fldaKsl Ys%;h Sin θ Sin ф fõ.

´kEu s ldlaIslhlgu fldaKsl fldgila fkdue;s nj;a p ldlaIslhlg

wÍh fldgila yd fldaKsl fldgila hk folu we;s nj;a by;
WodyrKfhka Tng fmfkkq we;.
ldlaIsl j, yev ms<sn| .=Kd;aul woyila ,nd .ekSu O%eùh m%ia:dr
we£fuka l, yel. fuh Tn bÈß mßÉfÊofhys wOHhkh lrkq we;.

60
 ieish 5 - mrudKql ldlaIl
s j, yev

5.2 O%eùh m%ia:dr (Polar plots) hkq fudkjd o@

O%eùh m%ia:dr w¢kq ,nkafka ldlaIslhl yevfha .+Kd;aul woyila

,nd.ekSu i|ydh. ldlaIslfha fldaKsl Y%s;h fï i|yd fhdod .kS. O%eùh
m%ia:drhl, ´kEu ,laIhl isg LKavdxl moaO;sfha uq, ,laIhg we;s ÿr r (
tu f¾Ldj idok θ yd ф w.hhka iys; wjia:dfõ) wÍh Ys%;fha ksrfmalaI
w.hg iudk fõ.
idudkHfhka, ´kEu s ldlaIslhlg fldaKsl fldgila fkdue; ^ieneúkau
th ksh;hls&. tu ksid O%eùh m%ia:drhl s ldlaIslfha w.h ´kEu
fldaKhla i|yd ^lsishï w.hl§& tlu fõ. ta wkqj, s ldlaIslfha fldaKl
s
w.h, úúO yd w.hka i|yd m%ia:dr .; l, úg, f.da,Sh yevhla ,efnkq
we;.
2p ldlaIsl θ yd ф ys Ys%;hka fõ. fï wkqj, p ldlaIsl j, fldaKsl
fldgi úúO fldaK iuÕ m%ia:dr .; l, úg, uq, ,laIfha § tlsfkl
iïnkaO jQ tla + yd wksl - jQ wArO f.da, folla iys; yevhla ,efí.
^fuu + yd - f,i yÿkajkafka ;rx. Ys%;fha ,l=K muKs. fuh
bf,lafg%dak wdfrdamKhla fkdfõ&. ;s%udK wdlD;sh ksrEmKh lsÍug
wmyiq neúka, ldlaIsl j, O%eùh m%ia:dr j, yria lvla my; 5.1 rEm
igyfka olajd we;.

rEmh 5.1: p ldlaIslfha fldaKsl w.fha yrialvla

fuu igyfka wArO f.da, fol + yd - f,i olajd we;. + ,l=K uÕska
olajkafka ldlaIslfha fldaKsl fldgi tu m%foaYfha § Ok w.hla .kakd
njhs. tfiau - ,l=Kska oelafjkafka llaIslfha fldaKsl fldgi tu
m%foaYfha § iDK w.hla .kakd njhs. tfukau px, py, pz ldlaIsl j,
fldaKsl fldgi ms<sfj,ska x, y, z wCI ÈYdjg fhduq ù we;.

5.3 yhsv%cka mrudKqfõ wÍh jHdma; Ys%;h, R(r)2 (Radial

distribution function)
wjldYfha lsishï mßudjl § mrudKqjl bf,lafg%dakhla fidhd .ekSfï
iïNdú;djh tys msysàu ms,sn|j fyd| ñkqula jk nj miq.sh ieisfha §
wOHhkh lf,ah' tfiau ψ2 ys jeo.;alu iy ldlaIslhl fN!;sl
ksrEmKh ,nd.kakd wdldrho Tn óg fmr wOHhkh lrk ,§. Tn fmr

61
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

bf.k.;a mßÈ ;rx. Ys%;h, wÍh yd fldaKsl fldgia j,ska úia;r l,

yel. ta wkqj bf,lafg%dakhl iïNdú;d jHdma;sh ψ2 , R(r)2 yd A(θ , ф )2
uÕska úia;r l, yelsh.
4πr2 R2(r) hk .Ks;uh m%ldYkh jHq;amkak l, yels w;r tuÕska
kHIaáfha isg r ÿrlska lsishï ÈYdjlg bf,lafg%dakhla ;sîfï iïNdú;dj
fokq ,nhs. fuys R(r) wÍh Ys%;h fõ. s yd p ldlaIsl i|yd fuu Ys%; yd r
w;r m%ia:dr my; 5.2 rEmfha oelafõ.

rEmh 5.2: yhsv%cka mrudKqfõ 1s, 2s yd 2p llaIhkays wÍh jHdma;s Ys%;

i|yd m%ia:dr
rEm igyka fyd¢ka wOHhkh lr tajd Tn fuf;la ,nd.;a oekqu Wmfhda.S
lrf.k f;areï .ekSug W;aidy lrkak.
fuu rEm igyka j, Tn ÿgq m%Odk ,laIKhka fudkjdo @
bf,lafg%dakh yuqùfï iïNdú;dj iEu úgu Ok w.hla .kakd w;r th
l%ufhka wvq fjñka kHIaáh wi, § Y=kH olajd wvqjk nj Tng fmfkkq
we;. tla;rd r ÿrl§ bf,lafg%dak oelSfï iïNdú;dj b;d by< w.hla
.kakd nj Tng fmfkkq we;. fuu ÿr m%Odk lafjdkagï wxlh, n jeä
ùu;a iuÕ jeä jk nj fmfka. 1s ldlaIslh i|yd bf,lafg%dakh yuqùfï
Wmßu ÿr r, m<uq fnda¾ wrh iuÕ iumd; ùu úfYaIhla fõ. th kHIaáfha
isg m,uq fnda¾ llaIhg we;s ÿrhs. 1s bf,lafg%dakhla i|yd fuu ÿr 5.3
pm jk w;r th fnda¾ wrh (Bohr radius) f,i ye|skafõ.
by; mßÉfÊofha § kHIaáfha isg r ÿrlska msysá f.da,Sh ljphl
bf,lafg%dakhla fidhd .ekSfï iïNdú;dj Tn i,ld ne¨fõh. tys §
lsishï kshñ; ÈYdjla .ek úfYaI ie,ls,a,la oelajqfha ke;. fjk;a jpk
j,ska lsjfyd;a Tn tys § ie,l=fõ wÍh jHdma;s Ys%;h muKls.
flfia jqj;a bf,lafg%dakhla fidhd .ekSfï iïNdú;dj, hï kshñ;
ÈYdjla u; r|d mj;s. th hï ÈYdj, § by< w.hla .kS. ÈYdj ms<sn| fuu
fjkiaùu fokq ,nkafka ldlaIs;fha fldaKs; Ys%;h uÕsks. lsishï ÈYdjl §
bf,lafg%dakh fidhd .ekSfï iïNdú;dj jeäkï mrudKqj m%Odkju
nkaOkh iefokafka tu ÈYdj Tiafiah. iyixhqc nkaOk j, ;s%udk
ridhkh i|yd moku jkafka fuhhs.

62
 ieish 5 - mrudKql ldlaIl
s j, yev

ls%hdldrlu 5.1

1. Tn fuf;la bf.k.;a oekqu Wmfhda.S lr .ksñka my; oelafjk j.=j

iïmq¾K lrkak. (wkjYH oE lmd yßkak&
ldlaIslh i|yd .Ks;uh m%ldYkh wÍh fldgi fldaKsl fldgi
1s we;$ ke; we;$ ke;
2s we; $ ke; we; $ ke;
2p we;$ ke; we;$ ke;
2' yhsv%cka i|yd jk fnda¾ wdlD;sfha bf,lafg%dakh N+ñ wjia:dfõ
we;súg 0.53 A° jk ksh; ÿrlska we;s ljphl mj;S. lafjdkagï hdka;%
úoHd;aul meyeÈ,s lsÍï wkqj kHIaáfha isg bf,lafg%dakhg mej;Sfï
iïNdú;dj jeäu ÿr jkafka 0.53 A° fõ. fuu jdlH foflys fjki
l=ulao @
3. 1s,2s, 2px , 2py 2pz ldlaIsl j, ye~ we| fmkajkak.

5.4 fldaKsl jHdma;s Ys%;h (Angular distribution

function) - A2(θ , ф )
A( θ, ф ) uÕska olajk fldaKsl Ys%;fha jeo.;alu jkafka, tuÕska
kHIaáfha isg wkka; ÿrlska (θ, ф) hk ÈYdjka Tiafia bf,lafg%dakhla
fidhd .ekSfï iïNdú;dj .Kkh l, yels ùuhs. tu iïNdú;dj
A2(θ, ф ) j,ska oelafõ. fuys A(θ , ф)hkq fldaKsl Ys%;h fõ. yhsv%cka
mrudKqfõ 1s, 2px , 2py, 2pz ldlaIslhka j, fldaKsl jHdma;s YS%;hka
A2(θ , ф ) i|yd O%eùh m%ia:dr 5.3 rEmfha olajd we;. fuys olajd we;af;a
A2(θ , ф )ys yrialvla muKls.

rEmh 5.3: yhsv%cka mrudKqfõ s, px, py, pz hk ldlaIsl j, A2(θ, ф )

m%ia:dr

63
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

5.5 bf,lafg%dak >k;ajh

by; mßÉfÊofha § kHIaáfha isg r ÿrlska bf,lafg%dakhla fidhd .ekSfï
iïNdú;dj 4πr2R2(r) uÕska fokq ,nk nj Tn wOHhkh lrk ,§.
tfiau A2 (θ,ф) uÕska kHIaáfha isg wkka;h olajd (θ ,ф ) ÈYdfjys
bf,lafg%dakhla fidhd .ekSfï iïNdú;dj ,nd foa. fï wkqj tlu úgl oS
r ÿrlska yd (θ ,ф ) ÈYdfjys dv b;d l=vd mßudjla ;=, bf,lafg%dakhla
fidhd .ekSfï iïNdú;dj R(r)2 A2 (θ ,ф ) dv uÕska fokq ,efí.
ldlaIslhla hkq wÍh Ys%;fha yd fldaKsl Ys%;fha .=Ks;hla nj Tng u;l
o?
ldlaIslhla Y uÕska fokq ,nhs kï,
y = R(r)A(θ,ф)
túsg, r ÿrlska yd (θ ,ф ) ÈYdfjys dv b;d l=vd mßudjla ;=,
bf,lafg%dakhla fidhd .ekSfï iïNdú;dj y2 dv uÕska fokq ,nhs.
mrudKql tall uÕska bf,lafg%dakfha ialkaOh 1 ksid fuh wjldYfha dv
b;du;au l=vd mßudjla ;=, (r,θ,ф) ,laIHhl oS bf,lafg%dakhla fidhd
.ekSfï iïNdú;djhs.

m% : R2 (r)dv yd A2( θ, ф)dv hk Y%s; uÕska yd tu Ys%;hkays .=Ks;hka

uÕska fokq ,nk o;a; fudkjdo@
ms : kHIaáfha isg r ÿrl bf,lafg%dakhla fidhd .ekSfï iïNdú;dj R2 (r)
dv uÕska fokq ,nk w;r A2(θ, ф)dv uÕska kHIaáfha isg ´kEu
ÿrlska θ, ф hk ÈYdk;sfha bf,lafg%dakhla fidhd .ekSfï
iïNdú;dj fokq ,nhs. Ys%; foflys .=Ks;h uÕska r,θ,ф hk wjldYfha
dv hk l=vd mßudjl bf,lafg%dak >k;ajh fokq ,nhs.

yhsv%cka mrudKqfõ 1s, 2s, 3s hk ldlaIslhkaf.a bf,lafg%dak >k;aj

jHdma;Ska 5.4 rEmfha fmkajd we;.

64
 ieish 5 - mrudKql ldlaIl
s j, yev

rEmh 5.4: yhsv%cka mrudKqfõ 1s, 2s,3s ldlaIslhkaf.a bf,lafg%dak

>k;aj jHdma;sh. ;s;a j, >k;ajh uÕska bf,lafg%dak
iïNdú;dj olajhs.

rEm igyka fyd¢ka wOHhkh lrkak. yd r w;r w|sk ,o m%ia:dr j,

r = 0 (kHIaáh) wjia:dfjs bf,lafg%dak >k;ajh Wmrsu njo, r jeäjk úg
oS th wvqjk nj o Tng fmfkkq we;. flfia fj;;a r b;d úYd, jk
w.hloS mjd bf,lafg%dakh fidhd .ekSfï b;d l=vd iusNdú;djhka mj;sk
nj Tn jgyd .; hq;=hs.
kHIaáfha isg hïlsis ÿrl § bf,lafg%dak >k;aj Ys%;h Y=kH olajd wvqjk
whqre Tng fmfkkq we;. Ψ2 ys w.h Y=kH jk kHIaáh jgd msysgk f.da,Sh
mDIaGhka (nodes) f,i y÷kajhs.

5.6 nyq bf,lafg%daksl mrudKq j, ldlaIsl

fï jk úg, yhsv%cka mrudKqfõ lafjdkagï hdka;% úoHd;aul rEmh
iïnkaOj Tng fyd| wjfndaOhla ;sìh hq;=h. yhsv%cka mrudKqfõ tl
bf,lafg%dakfha muKla we;s ksid fuh ir, wjia:djls (rEmh 5.5).
mrudKqjl bf,lafg%dak folla fyda Bg jeä .Kkla mj;sk úg§ l=uk
fjkialï isÿfõ o@ jdikdjlg fuka yhsv%cka mrudKqfõ mj;sk
ldlaIslhkag iudk ldlaIsl uÕska nyq bf,lafg%daksl mrudKq o úia;r
lsÍug yels ù ;sfí. tajd o 1s, 2s, 2p hkd§ f,i kï l, yel. tfiau,
fuu ldlaIsl j,g yhssv%cka mrudkqfõ Bg wod< jk ldlaIsl j, yevhkag
iudk yevhla mj;S. yevhka iy kï lsÍu w;ska yhsv%cka mrudKqj
f,igu jqj o mrudKqfõ bf,lafg%dak lsysmhla mej;Su ksid th
ldlaIshkaf.a Yla;Skag n,mEula we;s l, yel.
bf,lafg%dak tllg jvd we;s úg § ldlaIsl j, Yla;s i|yd ljr
idOl$hka jeo.;afõ o@

65
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

bf,lafg%dak tllg jvd we;s úg, bf,lafg%dak - bf,lafg%dak w;r mj;sk

úl¾IK ldlaIslhkaf.a Yla;shg n,mE yel. ta wkqj, úúO Wm ljphkag
úúO Yla;Ska mj;skq we;. WodyrKhla f,i yhsv%cka mrudKqfõ ljphka
fuka fkdj nyq bf,lafg%daksl mrudKqjl § 3s Wm ljph, 3p Wm ljphg
jvd fjk;a Yla;s uÜgul mj;S (rEmh 5.6).

rEmh 5.5: yhsv%cka j, ldlaIsl Yla;s uÜgï wkqms,sfj,

rEmh 5.6: nyq bf,lafg%adk mrudKq j, ldlaIsl Yla;s uÜgï

wkqms,sfj,

66
 ieish 5 - mrudKql ldlaIl
s j, yev

rEm igyka ixikaokh lrkak. yhsv%cka mrudKqfõ fuka fkdj nyq

bf,lafg%daksl mrudKq j, Wm ljphka ys ldlaIsl j,g fjkia Yla;k
S a
mj;skq we;.

m% : nyq bf,lafg%dksl mrudKq i|yd n = 3 uÜgfï § s, p, d ldlaIsl j,

Yla;s fjkia jkafka flfia o@
ms : nyq bf,lafg%dksl mrudKq i|yd rEmh ne,Q úg §
3s ldlaIslfha Yla;h
s < 3p ldlaIsfha Yla;sh < 3d ldlaIslfha Yla;sh
nj Tng fmfkkq we;.
by; ldlaIsl Yla;s igyk .=Kd;aul tlla jk nj Tn jgyd .; hq;=h.
tys f;areu fuh tla mrudKqjlska ;j;a tllg fjkia jk njhs. tfiau
jeo.;a ,laIKhla jkqfha Wm ljp w;r Yla;ska fjkia jqj o lsishï Wm
ljphka ;=, Yla;ska iudk ùuh. WodyrKhla f,i p Wm ljp ;=fka
iudk Yla;ska mj;sk w;r d Wm ljp myo tlu Yla;s uÜgfï mj;S.
fuu Yla;s fjki jkafka wehs oehs iy thg fya;= ±ka wm i,ld n,uq.

5.7 iM, kHIaál wdfrdamKh

nyq bf,lafg%daksl moaO;shl iEu bf,lafg%dakhlau úúO n, j,g yiq fõ.
tu n, fudkjd o@
bf,lafg%dak wdfrdams; wxY= fõ. fjkia wdfrdamk ksid bf,lafg%dakh,
kHIaáh uÕska wdl¾IKh lr .kS. tfiau tu bf,lafg%dakh wksl=;a
bf,lafg%dak uÕska úl¾IKh ùu o isÿ fõ. tksid fujeks ;;aj hgf;a §
Tng l;d l, yelafla fuu wdl¾IK yd úl¾IK n, j, iM, n,mEuhs.
§ we;s bf,lafg%dakhla yd kHIaáh w;r msysgk wksl=;a bf,lafg%dak uÕska
tu bf,lafg%dakh u; we;s jk kHIaál wdfrdamKh wvq lrhs. fuys §
we;sjk Y=oaO Ok wdfrdamKh fyda bf,lafg%dakh u; oefkk i;H
wdfrdamKh iM, kHIaál wdfrdamKh ( effective nuclear charge) f,i
ye¢kafõ. fuh Zeff u.ska ixfla;j;a lrhs.
Zeff = Z - S
fuys Z = kHIaáfha we;s fm%dafgdak .Kk yd S = ksjdrK ksh;h fyda
ksjdrKh (Screening constant)
fuuÕska fmkajkafka § we;s bf,lafg%dakh u; n,mdk Ok wdfrdamKh,
uq¿ kHIaál wdfrdamKhg jvd wvqjk njh. fufia we;=,; bf,lafg%dak
uÕska msg; bf,lafg%dak wdjrKh lsÍu ksjdrK wdprKh fyda “screening
effect” f,i y|qkajhs.
kHIaáh yd § we;s bf,lafg%dakhla w;r mj;sk bf,lafg%dak jHdma;sh
uÕska § we;s bf,lafg%dakh fld;rï ÿrg kHIaáfhka wdjrKh fõo hkak
ks¾kh lrhs. § we;s n w.hlg fuu bf,lafg%dak jHdma;sh tla tla Wm
ljph wkqj fjkia fõ. WodyrKhla f,i 3s ldlaIslfha mj;sk
bf,lafg%dakh 3p ldlaIslfha mj;sk bf,lafg%dakhg jvd kHIaáhg ,Õh.
3s ldlaIslhg bf,lafg%dak msÍu 3p j,g jvd l,ska isÿ fõ.

67
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

m% : 3s bf,lafg%dakh yd 3p bf,lafg%dakh w;=ßka ljrlg jeäu Zeff

w.hka mj;S o@
ms : fuys n w.h folgu fmdÿh. flfia jqj;a kHIaáh yd 3p ldlaIslh
w;r ;sfnk bf,lafg%dak .Kk, kHIaáh yd 3s ldlaIslh w;r ;sfnk
bf,lafg%dak .Kkg jvd jeäh. w;rueos bf,lafg%dak u.ska ksjdrKh
jSu ksid 3p bf,lafg%dak kHIaáhg wdlraIKh ùu wvq fõ. Zeff w.h
wkqj 3p ldlaIslhl we;s bf,lafg%dak j,g 3s ldlaIslhl we;s
bf,lafg%dak j,g jvd wvq w.hka we;. tkï 3s ys we;s
bf,lafg%dakhl Zeff w.h (3p bf,lafg%dakhg jvd& jeäh.

by; mrspsfPaoh uÕska, Wm ljp j, Yla;k

s a fjkia ùug fya;= .ek hï
wjfndaOhla Tng ,enqk njg wm úYajdi lruq.

5.7 bf,lafg%dak ksjdrKh iy Slater kshuhka

bf,lafg%dak uÕska isÿjk ksjdrKfha m%udKh fld;rï fõ o hkak
ksudkh lsÍu i|yd mßCIKd;aul kshuhka lSmhla Slater uÕska bÈßm;a
lr we;.
bf,lafg%dakhla i|yd ksjdrK ksh;h .Kkh lsÍug Tn l, hq;af;a my;
oelafjk mshjr ms<sme§uhs.
mshjr 1 - n w.h wkqj llaIsl (s,p), d iy f ldKav f,i fjkalr ,shkak'
Wod : (1s) (2s, 2p) (3s, 3p) (3d) (4s, 4p) (4d) (4f)
mshjr 2 - Zeff .Kkh lsÍug wjYH bf,lafg%dakh meyeos,sj y|qkd .kak.
mshjr 1 ka ol=Kg we;s ldKav fkdi,ld yrskak.
mshjr 3 - Zeff .Kkh lsÍug wjYH bf,lafg%dakh s fyda p kï
(a). 1s bf,lafg%dakh yer tlu ldKavfha mj;sk bf,lafg%dakhla
uÕska 0.35 odhl;ajh foa. 1s uÕska 0.30 l odhl;ajh foa.
(b). (n – 1) ldKavh tl e uÕska 0.85 l odhl;ajhla foa.
(c) (n – 2) ldKavh fyda my, e uÕska 1.00 l odhl;ajhla foa.
mshjr 4 - Zeff .Kkh lsÍug wjYH bf,lafg%dakh d fyda f kï
(a). tlu ldKavfha mj;sk bf,lafg%dakh tlla uÕska 0.35
odhl;ajh
(b). (n – 1) ldKavh tl e uÕska 0.85 odhl;ajh
(c). (n – 2) ldKavh fyda my, tl e uÕska 1.00 odhl;ajh

m% : Slater kshuhka Wmfhda.S lr.ksñka khsg%cka ys (i) ixhqc;d

bf,lafg%dakhla i|yd Z eff .Kkh lrkak.

68
 ieish 5 - mrudKql ldlaIl
s j, yev

ms : N ys ixhqc;d bf,lafg%dakh
N – 1s2 2s2 2p3 ixhqc;d bf,lafg%dak 2p ys we;'
(i) ldCIKsl ldKav f,i fjka lsÍu
(1s) (2s 2p) n -1 n
(ii) tlu ldKavfha e u.ska odhl;ajh = 4 x 0.35
(i,lk 2p bf,lafg%dakh yer)
(n – 1 ) bf,lafg%dak uÕska odhl;ajh = 2 x 0.85
S = (4 x 0.35)+ (2 x 0.85)
= 3.10
Zeff = Z - S
Zeff = (7-3.10)
= 3.9

ls%hdldrlu 5.2

1. by, iM, kHIaál wdfrdamKhla we;af;a ñka l=ulgo@ Tlaisckays 2p

bf,lafg%dakhlg o? ke;fyd;a ksfhdaka ys 2p bf,lafg%dakhlg o? wod,
.Kkh lsÍï lr ta i|yd fya;= olajkak.
2. my; i|yka mrudKqj, ldlaIsl iu Yla;s wjia:djl mej;Sug kï
l=uk lafjdkagï wxl iudk úh hq;= o@
(i) yhsv%cka mrudKqj (ii) ldnka mrudKqj
3. (i) Mn (Z = 25) (ii) Cu (Z = 29) (iii) K (Z = 19) ys
4s bf,lafg%dakhla i|yd Zeff .Kkh lrkak.
4. “nodes “ hkq fudkjdo?
5. 1-5 olajd ieis j, oS Tn wOHhkh l, oE Wmfhda.s lr .ksñka
úoHd;aul wdlD;shlg wdfõKsl m%Odk ,laIK 3 la i|yka lrkak.

idrdxYh

Iafrdaäka.¾ iólrKfha úi÷ï jkafka bf,lafg%dakhl f.da,Sh O%ejl

LKavdxl moaO;sh (r, θ, ф) ;=, ,efnk .Ks;uh Ys%;hkah. fuu úi|qï
uÕska yhsv%cka mrudKqfõ ldlaIslhka fmkakqï flf¾.
Iafrdaäka.¾ iólrKfha úi|qï f,i ,efnk ;rx. Ys%;h wÍh Ys%;hl yd
fldaKsl jHdma;s Ys%;hl .=Ks;hls.
;rx. Ys%;hl fldaKsl fldgi Ndú;d lrñka w¢kq ,nk O%eùh m%ia:dr
uÕska ldlaIslhl yevh ms<sn| .=Kd;aul woyila ,nd .; yels fõ.

69
tallh 1 - mrudKql jHqyh i|yd wdlD;s iy kQ;k wdj¾;s;d j.=j

r ÿrl§ dv l=vd mßudjl θ, ф ÈYdfõ we;s bf,lafg%dakhla fidhd .ekSfï

iïNdú;djh R(r)2 .A2(θ, ф)dv m%ldYkfhka fokq ,nk w;r fuys R(r)
wÍh Ys%;hla jk w;r A(θ, ф) hkq fldaKsl Ys%;h fõ.
ldlaIslhl bf,lafg%dak >k;ajh Y+kH jk m%foaY “nodes” kï fõ.
nyq bf,lafg%daksl mrudKq j, ldlaIsl mej;Su o ;rula ÿrg yhsv%cka
mrudKqjg iudk fõ. flfia kuq;a fjk;a wdl¾IK n, mej;Su ksid th
ldlaIsl j, Yla;k S a flfrys n,mEula we;s lrhs.
nyq bf,lafg%daksl mrudKq j, bf,lafg%dakhlg oefkk i;H wdfrdamKh
l=vd w.hla jk w;r th iM, kHIaál wdfrdamKh kï fõ. fuhg fya;=
jkafka msg; ljp bf,lafg%dak uÕska we;=,; ljp bf,lafg%dak wdj¾Kh
lsÍuhs.

wNsu;d¾:

fuu ieish wOHhkfhka miq my; oelafjk oE lsÍug Tng yelshdj ;sìh
hq;=hs.
 ldlaIslhl ;rx. Ys%;h § we;s úg tys wÍh YS%;h yd fldaKsl Ys%;h
y|qkd .ekSu.
 ;rx. Ys%;fha j¾.h, Ψ2 uÕska fmkakqï lrk jeo.;alu i|yka
lsÍu.
 s, p, d ldlaIslj,g wkqrEm jk bf,lafg%dak iïNdú;d jHdma;sfha
yevhka meyeÈ,s lsÍu.
 iM, kHIaál wdfrdamKh yd ksjdrK wdprKh hkq l=ulaoehs
meyeÈ,s lsÍu iyd nyq bf,lafg%dak mrudKq j,g fïjdfha n,mEu
meyeÈ,s lsÍu.
 § we;s bf,lafg%dakhla i|yd iM, kHIaáh wdfrdamKh .Kkh
lsÍu.

70