0 ratings 0% found this document useful (0 votes) 5 views 38 pages Valency Classnotes
The document discusses molecular electronic Hamiltonians and their applications in understanding electronic properties of materials. It emphasizes the significance of various variables and parameters in modeling electronic behavior. Additionally, it touches on the limitations of approximations in the study of electronic interactions within molecular systems.
AI-enhanced title and description
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content,
claim it here .
Available Formats
Download as PDF or read online on Scribd
Go to previous items Go to next items
Thus, we oy howe » meleculan. clectrerie 2 &¢n—>
Hel $ (mi avec = Um (¥*) $, (ai 5 a)
a aah pane
en ntl? Bak ‘ari pam variate Be deat
Chai
oA hl Teel)
—
eee Prarie
: th,
Pm (ui nm) ? beens
: it
Um (Vs) po shetnent. fon 4 Deo
&; ple ere boar re)
Arle.» Ufeed) |
Lo-ondinate chany Yat
Chen valu charge BE
Eee ¢
(Hof Te ~ a
o €4¢~ CF
mr only pee:
o(€- e@) ? os
& \ 512/22
NeZiZes
S. Ean form 70M melakvishe moleculer Hamiltonioe
ny (wi) =e" (M%) —O
Poiteeeesst Wen. He Trl «Hel.
We take 5.€q Gor We moleulan electamic Hamil oni an He
ta Py (455 V4) =< Um) Gy (or 3 ¥a) —@
Yb = clectrovie torondinate (ua} = mclean -toondi ites
Sua} om wal as Vera} ack as variables im [wi ,ax)
wile {ai} ack a Vanybler ih bn (Wis va) and fg} 2
Pang meter,
an @ is om 4 value 28m
volewlar electronic Hawi) kon) am, Het
who, oo (iz va) 1h ne Junin ok Nek wih elgen vols
Um (%) »
Um [¥A) am chin os an in Vie ge hale by wi
Parkealar electrome alte fu,( 15 va) Hey vale. edLbs | Fab? 1° 4 ladiraby
ead HO |8 Odie
ag [rhmt-d)
bork sider f ee @ vith bg (visa) and beheppale,
take seer Wry
wy
let Beets
pven electronic worondina a gus on es
eae vi rte) alee) a 0 |=
aie frat} Stef UMD
So
L am
pet ein:
eel = om ca remade Self (4 )}
& 22/3/22. ; @
Cals) =
du hues hy m) oe YD),
Sc
a ne) eore
ieee wen”
CG» Tah (Yee was Ld carl | bon IE
- Kym MA
Dros ents: by id) | Ve | Amv A) rae =o)
bn i D1 G1 4m (8 D@ TO
TP and 1 dood cap hn higbelateas
eee
ms, sind bm (847 v3)GWhal Yee term potembit tha Pofmbal eon tune
/ 7 OY Canine
pls don 2 we
yo He Nyy
oti nde ut = Poa
= Region in rihich poronbial crnyy
Ne suave Ga fro ‘eleetnonle
hate com oe ard in
‘et pfus- tre
pugion vhs Loved
clectnoe zlabs “fon nucle
vnpvenenl 1A wok 9 [Nprble
Perec brakes]
| [bouetrg anes aor, BO
Hore, we hove h ge beyond B? approximahion.
chumicad. bm ding
eal in be vndurslons Be ebysivoh oateck
Bs
arttovion ip herwibion poralon fir bound Aftis va le
| po ean.
Hamiltnyanr 14
1h A
hens bia -
> Fire liantrha
oy, HY EET,
Me be any ion A-
» yw)
foie” Cor ioe] @?
pHAlY) Zylan|y?
ce
~ et Lelal? Sauna tke j
es
Se eet he j
Be fie bowtie porate: i
Le 3@
Me ZCHA) =2iF
Dele (Ew Re FS
\
a
Be oe ee
45 ee
Se
=? ZH, A)>2e
2 tS: ee
pe ce a
@ abl
a a) 24> | ne
fon a bound state, T
ga] EM 35 Sali a
in aber
Lu” ey oo oa
\ \= digrdhe ts
aj Goel
yo yp Loy
ra emcee (ond
~3 wontons Neches oo nite TOE
Fan, a homes enous “enckon
A (M22 en) Dit Same ¢ a Z
we beat,
Blin, Mees ete ee)
Boxe ea cooler
we
es phot Aeeecsteahat
a ot fh de dimensi mal HO”
gab am Ly Vim) > Vo. Peel
> gr. by Kove
Vie ene °
Recess eh 2* Die
Se Hare cee
ela Yeu
Baier Ox
aa eee
2 geet dtu * |v DNeW tee ANG
Dx % progres
= - (fe pres 4) y, ATT ee ne ae
5 nis Lee a
L eyes ee age!
he integration * ah Ate ah ete dim One
aur Ne owen all Aen pooon dinar i) and be eaten,
Pend 4 (%- yi, BO ke electron» sensi
{ve ee a es. a ted con te
mig (a9) wa {
% a : tronie
je {val own
oh how Se
eS rls den Ata
electro
ee
Pose tn faker hun roa
This suens i Ayn all of lectin waveate
electnen bensy LO Pf.
- bh , hee Pp? electaor—
dens?
eal aa Be, favre”
@ wr
‘Qu £3 dvi pire &
coal i 6 ets
an, * pa + oe a feos fet
pa Bae ha (-™8)
eens
f 7 + Fee
+Aer hee (elas:
2 (the simel ak wef
ex bef
ie
Renee er
ey ES)
rq cor (04) =
rece ae
Dee ona a), due to a peer
ee g ban pris
Ps
From 26 OX”
LE Gon, Hintomicy
Bee UNO cha aoe
ee eaero kn ee!
a ( Ha) a be onc d
Whidh tp am obeiouy Orie
a dia brome.; Hien coche of ppaeuinetiee vy
OD Free electron molrelan 07 ae “4 (remo)
4 '
~electaen -rlec tan Ayteac.
one sage malected:
@ tide Zig | f-zande
n= Zen opbid.
on ne Carb
Hef © ‘9. = & p
@ Extended Hieket fem poli
| @ Hubbard tharillomian frveriyptlie. pd bom
ji
Q@ Foriton~ Porn— fo pele Go) elas
: ins ulabira poly msn
ao
ms conduc bir Polymer,
dur be eae
bockbenw vibnah