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- Materials for Biomedical Applications - Material Matters v5v3 2010
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force

Ø One particle moving under a

central force.

CENTRAL FORCE

• Derive from potential energy

function ,function only of

distance of particle from

origin.

• Spherically symmetry. V=v(r)

Ø The relation between force (F) and

potential (P).

Ø

Ø

Ø Since V is the function only on r

Ø

Ø Hence

Ø

Ø

Ø The equation become

QM of a single particle to a

central force.

Ø The Hamiltonian operator

• where

Ø Transform these coordinate to

laplacian operator (square each

operators).

Ø This will result

•

Ø

Ø Gives the operator for square of

magnitude of orbital angular

momentum of a single particle L^2.

Ø

Ø

Ø The Hamiltonian becomes

Ø In classical mechanics a particle

subject to a central force has

angular momentum conserve.

Ø In quantum mechanics has definite

values for both energy and angular

momentum.

Ø The commutator of H and L must be

vanish.

Ø Set the simultaneous eigenfunction of

Ĥ, L^ and L^2 for a central-force

problem.

Ø Let the ψ denote of these common

eigentfunction.

•

Ø

Ø So, the Schrödinger equation become

Ø

Non interacting particles

Ø The particles exert no force on each

other and the classical-mechanical

energy is sum of energy of two

particles.

Ø

Ø The Hamiltonian operator is

Ø Where Ĥ only involve coordinate q

1 1

2 2

Ø

Ø The solution of separation variables,

we setting

Ø When the system is composed of two

no interacting particles, we can

reduce two-particle problem into

two separate one particle problem

by

Ø In general can solve any number of

non interacting particles. For n such

particles, we have

Ø For system of non interacting

particles, the energy is the sum of

the individual energies of each

particle and wave function is the

product of wave functions for each

particles.

Ø This result also apply to single

particle whose Hamiltonian is the

sum of separate term for each

coordinate

Ø So we can conclude that the wave

function and energies are

Reduction two particle to a

one particle problem

Ø Hydrogen has two particle, proton

and electron with coordinate

(x1,y1,z1) and (x2,y2,z2), the

potential energy of interacting

between these particles is a

function of only the relative

coordinate x2-x1, y2-y1,z2-z1 of

particles.

Ø In this case two particles problem

can be simplified to two separate

one particle problem.

Ø We can draw vector R like this

Ø

Ø

Ø

Ø

Ø The kinetic energy is the sum of

kinetic energy of two particle

Ø Let M is total mass and m is reduce

mass

Ø Then

Ø the 1st term is the kinetic energy due

to translational motion of the whole

system of mass M. The quantity of

kinetic energy of mass M at the

centre of mass. note: translational

is motion at the same

displacement.

Ø The 2nd term is kinetic energy of

internal motion of two particles.

(vibration and rotation)

Ø The Hamiltonian function is

Ø The quantum-mechanical energy is

Ø So the translational energy E found

M

Ø And the Eµ can be found using the

Schrödinger equation

Ø

Two particle rigid rotor

Ø Two particle in the system that held

at fixed distance from each other

by a rigid massless rod.

Ø The kinetic energy is wholly

rotational energy.

Ø So the energy of the rotor is wholly

kinetic and V = 0.

•

Ø The Hamiltonian equation become

Ø

•

• 1 2

two particles.

Hydrogen like atom

Ø Discussing atom or molecule,

considering isolate system

Ø Ignoring interatomic and

intermolecular interaction.

Ø Treat just as hydrogen atom- 1

electron and a nucleus of charge

Ze.

Ø Hydrogen Z=1

Ø Hydrogen like atom is the most

important system in QM.

Ø Schrödinger equation for atom with

more than one electron can’t be

obtained- interelectronic repulsion.

Ø So we assume no repulsion so

electron can be treated

independently.

Ø Atomic wave function will be

approximate by a product of one

electron function.

Ø A one-electron wave function is called

orbital.

Ø An orbital for an electron in an atom

is called atomic orbital.

Ø Atomic orbital's is use to construct

approximate wave function for

many-electron atoms or for wave

function for molecule.

Ø

Ø

Degeneracy

Ø For bound state(transition state), the

energy depends only on n. but

wavefunction depend on all three

quantum number n, l, and m.

• n = 1, 2, 3, …..

• l = 0, 1, 2, 3, …,n – 1

• m = -l, -1, +1…0…l – 1 , l

Ø

Ø

Ø Degeneracy - when different value of

l or m but have same value of n and

have the same energy. Except for n

= 1.

Ø For each value of l, the value of m is

2l+1.

Ø The degree of degeneracy of bound

state level of hydrogen like atom for

discreet level is found n square.

Ø For continuum levels for a given

energy there is no restriction on the

maximum value of l hence these

levels are infinity-fold degenerate.

(no discreet).

Ø The bound energy of hydrogen like

atom is discrete.

Ø The change in n are allowed so the

wave number of hydrogen spectral

lines are

Ø

Ø

Ø

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