Quantum Chemistry / Quantum Mechanics

Prezentace na téma: "Quantum Chemistry / Quantum Mechanics"— Transkript prezentace:

1 Quantum Chemistry / Quantum Mechanics
Introduction

2 Nature of light Christiaan Huygens Dutch light consists of waves ~ 1684 – 1926 “golden age of (classical) physics Materials at this presentation: largely from

3 Nature of light Sir Isaac Newton 1643 1727 light consists of particles Christiaan Huygens Dutch light consists of waves ~ 1684 – 1926 “golden age of (classical) physics Materials at this presentation: largely from

4 Absorption or Emission
Atomic Spectroscopy Absorption or Emission Johannes Rydberg 1888 Swedish n1 → n2 name Converges to (nm) 1 → ∞ Lyman 91 2 → ∞ Balmer 365 3 → ∞ Pashen 821 4 → ∞ Brackett 1459 5 → ∞ Pfund 2280 6 → ∞ Humphreys 3283

5 Absorption or Emission
Atomic Spectroscopy Absorption or Emission -R/72 -R/62 -R/52 -R/42 Johannes Rydberg 1888 Swedish -R/32 IR -R/22 VISIBLE -R/12 UV Emission Quantum numbers n, levels are not equally spaced R = 13.6 eV

6 Photoelectric Effect (1887-1905)
discovered by Hertz in 1887 and explained in 1905 by Einstein. Vacuum Heinrich HERTZ ( )

7 Photoelectric Effect (1887-1905)
discovered by Hertz in 1887 and explained in 1905 by Einstein. Vacuum Albert EINSTEIN ( ) Heinrich HERTZ ( )

8 Kinetic energy

9 Compton effect 1923 playing billiards assuming l=h/p
Arthur Holly Compton American

10 Davisson and Germer 1925 Clinton Davisson Lester Germer In 1927
Diffraction is similarly observed using a mono-energetic electron beam Bragg law is verified assuming l=h/p

11 black-body radiation Gustav Kirchhoff (1860). black-body radiation]
Shift of n RED WHITE Small n Large n

12 If h is the Planck constant J.s
Then Louis de BROGLIE French ( ) Max Planck (1901) Göttingen

13 Young's Double Slit Experiment
Thomas Young 1773 – 1829 Young's Double Slit Experiment

14 de Broglie relation from relativity
Application to a photon (m0=0) To remember To remember

15 de Broglie relation from relativity

16 ? Universal equation - particle-wave duality quantum character of microparticles Newton equations valid for heavy bodies

17 Time-dependent Schrödinger Equation
Without potential E = T With potential E = T + V Erwin Rudolf Josef Alexander Schrödinger Austrian 1887 –1961

18 Matrix Formulation Werner Karl Heisenberg ( 1901 Würzburg – 1976)

19 Relativity and Quantum Chemistry
Paul Adrien Maurice Dirac (1902 – 1984) relativity needed

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