Welcome to the Chem 373

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Welcome to the Chem 373
Sixth Edition
Lab Manual
It is all on the web !!
http//www.cobalt.chem.ucalgary.ca/ziegler/Lec.chm
373/index.html
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Lecture 1 Classical Mechanics and the
Schrödinger Equation
This lecture covers the following parts
of Atkins 1. Further information 4.
Classical mechanics (pp 911- 914 ) 2.
11.3 The Schrödinger Equation (pp 294)
Lecture-on-line Introduction to
Classical mechanics and the Schrödinger equation
(PowerPoint) Introduction to
Classical mechanics and the Schrödinger equation
(PDF) Handout.Lecture1 (PDF) Taylor
Expansion (MS-WORD)

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Tutorials on-line The postulates of
quantum mechanics (This is the writeup for
Dry-lab-II)( This lecture has covered
(briefly) postulates 1-2)(You are
not expected to understand even
postulates 1 and 2 fully after this lecture)
The Development of Classical Mechanics
Experimental Background for Quantum
mecahnics Early Development of
Quantum mechanics The
Schrödinger Equation The Time
Independent Schrödinger Equation
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Audio-Visuals on-line Quantum mechanics as the
foundation of Chemistry (quick time movie
, 6 MB) Why Quantum Mechanics (quick time
movie from the Wilson page , 16 MB) Why
Quantum Mechanics (PowerPoint version without
animations) Slides from the text book (From the
CD included in
Atkins ,)
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A particle moving in a potential energy field V
is subject to a force
Force in one dimension
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Potential energy and force
Force F
Potential energy V
The force has the direction of steepest descend
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Potential energy and force
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The expression for the total energy in terms of
the potential energy and the kinetic energy
given in terms of the linear momentum
is called the Hamiltonian
The Hamiltonian will take on a special
importance in the transformation from
classical physics to quantum mechanics
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Quantum Mechanics

Classical Hamiltonian
We consider a particle of mass m,
The particle is moving in the potential V(x,y,z)
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Classical Hamiltonian
The classical Hamiltonian is given by
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Quantum Mechanical Hamiltonian
Details Later!
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Quantum Mechanical Hamiltonian
We have
Details Later!
Thus
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Details Later!
Contains all kinetic information about a particle
moving in the Potential V(x,y,z)
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The position of the particle is a function of
time.
Let us assume that the particle at
has the position
and the velocity
What is
By Taylor expansion around
or
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However from Newtons law
Thus
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At the later time
we have
The last term on the right hand side of eq(1)
can again be determined from Newtons equation
as
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We can determine the first term on the right
side of eq(1) By a Taylor expansion of the
velocity
Where both
and
are known
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The position of a particle is determined at
all times from the position and velocity at
to