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Chapter 41. One Dimensional Quantum Mechanics Mechanics: Chapter Goal: To Understand

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Chapter41.

OneDimensionalQuantum
Mechanics
Quantumeffectsare
important in nanostructures
importantinnanostructures
suchasthistinysignbuiltby
scientistsatIBMsresearch
laboratorybymovingxenon
atomsaroundonametal
surface.
f
ChapterGoal:Tounderstand
and apply the essential ideas
andapplytheessentialideas
ofquantummechanics.

Chapter41.OneDimensional
Quantum Mechanics
QuantumMechanics
Topics:
SchrdingersEquation:TheLawofPsi
S h di
E
ti
Th L
fP i
SolvingtheSchrdingerEquation
AParticleinaRigidBox:EnergiesandWave
Particle in a Rigid Box: Energies and Wave
A
Functions
AParticleinaRigidBox:InterpretingtheSolution
TheCorrespondencePrinciple
FinitePotentialWells
WaveFunctionShapes
TheQuantumHarmonicOscillator
More Quantum Models
MoreQuantumModels
QuantumMechanicalTunneling

TheSchrdingerEquation
Consideranatomicparticlewithmassmandmechanical
energyEinanenvironmentcharacterizedbyapotential
energyfunctionU(x).
TheSchrdingerequationfortheparticleswavefunction
is

Conditionsthewavefunctionmustobeyare
1. (x)and(x)arecontinuousfunctions.
2. (x)=0ifxisinaregionwhereitisphysically
impossiblefortheparticletobe.
3 (x)0asx+andx.
3.
(x) 0 as x + and x
4. (x)isanormalizedfunction.

SolvingtheSchrdingerEquation
Ifasecondorderdifferentialequationhastwo
independentsolutions
p
1((x)and
)
2((x),thenageneral
)
g
solutionoftheequationcanbewrittenas

whereAandBareconstantswhosevaluesaredetermined
bytheboundaryconditions.

ThereisamoregeneralformoftheSchrodingerequationwhichincludes
timedependenceandx,y,zcoordinates;
Wewilllimitdiscussionto1Dsolutions
MustknowU(x),thepotentialenergyfunctiontheparticleexperiencesasit
moves.
Objectiveistosolvefor(x)andthetotalenergyE=KE+Uoftheparticle.
Inbound
In
boundstate
stateproblemswheretheparticleistrapped(localizedinspace),
problems where the particle is trapped (localized in space)
theenergieswillbefoundtobequantizeduponsolvingtheSchrodinger
equation.
Inunboundstateswheretheparticleisnottrapped,theparticlewilltravel
asatravelingwavewithanamplitudegivenby(x)

E,KE,andPE

E,KE,andPE

TheSchrdingerEquationwithConstantpotential

AParticleinaRigidBox

AParticleinaRigidBox
Consideraparticleofmassmconfinedinarigid,one
dimensionalbox.Theboundariesoftheboxareatx =0
andx =L.
1. Theparticlecanmovefreelybetween0andLat
constant speed and thus with constant kinetic
constantspeedandthuswithconstantkinetic
energy.
2. Nomatterhowmuchkineticenergytheparticlehas,
itsturningpointsareatx =0andx =L.
3. Theregionsx <0andx >L areforbidden.Theparticle
cannot leave the box
cannotleavethebox.
Apotentialenergyfunctionthatdescribestheparticlein
thissituationis

Zeropointenergy:evenatT=0K,a
confinedparticlewillhaveanonzero
energy of E1; it is moving
energyofE1;itismoving

TheCorrespondencePrinciple
Whenwavelengthbecomessmallcomparedtothesizeofthebox(thatis,wheneither
Lbecomeslargeorwhentheenergyoftheparticlebecomeslarge),theparticlemust
behaveclassically.
For particle in a box:
Forparticleinabox:

Classically:

TheCorrespondencePrinciple
Whenwavelengthbecomessmallcomparedtothesizeofthebox(thatis,wheneither
Lbecomeslargeorwhentheenergyoftheparticlebecomeslarge),theparticlemust
behaveclassically.
For particle in a box:
Forparticleinabox:

Classically:

FinitePotentialwell:
1 Solve
1.
SolveSchrodinger
Schrodingerssequationinthe
equation in the
threeregions(wealreadydidthis!)
2. Connectthethreeregionsbyusingthe
followingboundaryconditions:

1. ThiswillgivequantizedksandEs
2. Normalizewavefunction

FinitePotentialwell:

Finitenumberofboundstates,energyspacingsmallersincewavefunctionmorespreadout
(likebiggerL),wavefunctionsextendintoclassicallyforbiddenregion

Classicallyforbiddenregion
Classicallyforbiddenregion penetrationdepth

FinitePotentialwellexample
FinitePotentialwellexample Quantumwelllasers

FinitePotentialwellexample
FinitePotentialwellexample 1Dmodelofnucleus

Qualitativewavefunctionshapes
ExponentialdecayifU>E,oscillatoryifE>Ui.e.positiveKE,KE~p
p
y
,
y
p
,
p2 ~1/
/ 2,,
Amplitude~1/v~1/Sqrt[KE](particlemovingslowermeansmorelikelytobeinthatplace)

HarmonicOscillator
1 Solve
1.
SolveSchrodinger
Schrodingerssequationinthe
equation in the
threeregions(wealreadydidthis!)
2. Connectthethreeregionsbyusingthe
followingboundaryconditions:

3. ThiswillgivequantizedksandEs
g q
4. Normalizewavefunction

Molecularvibrations HarmonicOscillator
Molecularvibrations
E=totalenergyofthetwointeracting
atoms,NOTofasingleparticle
U=potentialenergybetweenthetwo
atoms
t
ThepotentialU(x)isshownfortwo
atoms.Thereexistanequilibrium
separation.
Atlowenergies,thisdiplookslikea
parabola Harmonicoscillator
parabola
Harmonic oscillator
solution.
Allowed(total)vibrationalenergies:

Particleinacapacitor

Particleinacapacitor

CovalentBond:H2+(singleelectron)

CovalentBond:H2+(singleelectron)

QuantumTunneling

QuantumTunneling

QuantumTunneling

QuantumTunneling
QuantumTunneling Resonanttunneling

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