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Atomic and Molecular Calculations of Physical and Chemical Properties

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Atomic physics and Quantum mechanics acompanying notes

Univ.-Prof. Dr. Enrico Arrigoni

TU Graz - Austria

Content of this lecture

1 Introduction: atoms and electromagnetic waves 
2 Failures of classical physics 
Blackbody radiation 
Photoelectric effect 
Line spectra 
3 Wave and Particle duality 
Double-slit experiment 
Light carries momentum: Compton scattering 
Matter (Electrons) as waves
4 Bohr’s atom
5 The wave function and Schr¨odinger equation
 Euristic derivation of Schr¨odinger equation 
Time-independent Schr¨odinger equation 
Interpretation of the wave function 
Summary: Schr¨odinger equation
6 Quantum mechanics of some simple systems 
Free particle 
Particle in a box 
Generalisations of the particle in a box 
Tunnel effect 
Three-dimensional box
7 Principles and Postulates of Quantum mechanics 
Postulates of Quantum Mechanics
8 Angular momentum and electron spin 
First step: “particle on a ring” 
Second step: “particle on the surface of a sphere” 
Electron spin 
9 The Hydrogen atom Schr¨odinger equation and separation of variables 
Qualitative solution 
Classification of atomic orbitals 
10 Many-electron atoms and the periodic table 
Pauli principle 
Building-up principle 
Hund’s rule 

https://itp.tugraz.at/~arrigoni/vorlesungen/atomphysik-quantenmechanik/public/mynotes-nobook.pdf

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