Quantum Chemistry

Schrodinger equation, Postulates , Particle in 1D box, Rigid rotator,H like atom etc, Variation and Perturbation Methods

What you'll learn
Quantum Chemistry
Requirements
Basic ideas about atomic and molecular structure
Description
This course covers the following topics and the treatment is exhaustive.Introduction – An overview of quantum mechanical approach to atomic and molecular phenomena, Importance of amplitude function in quantum mechanics, Mathematical foundation for quantum chemistry, de Broglie hypothesis-Problems and Exercises, Heisenberg's uncertainty principle- Problems, Schrodinger wave equation, Physical significance of the ψ function -Born interpretation, Acceptable/Well-behaved wave functions, Operator concept (3 videos) -Operator algebra, Position, linear momentum, angular momentum and energy operators, Eigenfunctions and Eigenvalues, Normalized,Orthogonal and Orthonormal eigenfunctions. Differences in the approaches of Classical Mechanics, Old Quantum Theory and New Wave Mechanics, Quantum mechanical postulates (7 videos), Two important theorems relating to the postulates, Commutation relations in quantum mechanics  , Particle in a 1-D box (3 videos), Particle in a 3-D box, Free Particle, Rigid rotator (4 videos) , Particle in a ring, Simple harmonic oscillator (5 videos), Hydrogen - like atoms ( 7 videos) , Need for approximate methods, Variation method and variation theorem, Variation method and H – atom, Electron spin, Many-electron atom – Hamiltonian, Many-electron atom - wave functions, Slater determinants, Symmetric and Antisymmetric wave functions, He atom and Pauli exclusion principle, Excited state He atom and Pauli exclusion principle, Variation method - He atom ,Perturbation method, Perturbation method and Helium atom, Chemical bonding - MO theory -LCAO approximation, Born-Oppenheimer approximation, MO theory-Hydrogen molecule ion, Huckel MO theory, Simple Huckel MO calculations – Ethylene, Simple Huckel MO calculations – Allylic systems.

Overview

Section 1: Introduction

Lecture 1 1 AN OVERVIEW OF QUANTUM MECHANICS

Section 2: QUANTUM CHEMISTRY

Lecture 2 IMPORTANCE OF AMPLITUDE FUNCTION & CLASSICAL ENERGY EXPRESSION IN WAVE MECHANICS

Lecture 3 MATHEMATICAL FOUNDATION FOR QUANTUM CHEMISTRY

Lecture 4 dE BROGLIE HYPOTHESIS

Lecture 5 HEISENBERG’S UNCERTAINTY PRINCIPLE

Lecture 6 5 SCHRODINGER WAVE EQUATION

Lecture 7 PHYSICAL SIGNIFICANCE OF THE ψ FUNCTION

Lecture 8 ACCEPTABLE /WELL-BEHAVED WAVE FUNCTIONS

Lecture 9 QUANTUM MECHANICAL FORMALISM - OPERATOR CONCEPT (I)

Lecture 10 9 OPERATOR CONCEPT II -Eigenfunctions,Eigenvalues etc

Lecture 11 10 OPERATOR CONCEPT III - HERMITIAN OPERATOR

Lecture 12 11 CLASSICAL MECHANICS, OLD QUANTUM THEORY AND NEW WAVE MECHANICS

Lecture 13 12 POSTULATES - POSTULATES 1 AND 2 (PART I ) - POSITION OPERATOR

Lecture 14 13 POSTULATES- POSTULATES 1 AND 2 (PART II ) - LINEAR MOMENTUM OPERATORS

Lecture 15 14 POSTULATES - POSTULATES 1 AND 2 (PART III ) - ENERGY OPERATORS

Lecture 16 15 POSTULATES -POSTULATES 1 AND 2 (PART IV ) - ANGULAR MOMENTUM OPERATORS

Lecture 17 16 POSTULATES - POSTULATE 3

Lecture 18 17 POSTULATES - POSTULATE 4

Lecture 19 18 POSTULATES - POSTULATE 5

Lecture 20 19 TWO IMPORTANT THEOREMS RELATING TO THE POSTULATES

Lecture 21 20 COMMUTATION RELATIONS -PART 1

Lecture 22 21 COMMUTATION RELATIONS -PART 2

Lecture 23 22 PARTICLE IN A 1-D BOX - PART1

Lecture 24 23 PARTICLE IN A 1-D BOX - PART 2

Lecture 25 24 PARTICLE IN A 1-D BOX - PART 3 - PROBLEMS & SOLUTIONS

Lecture 26 25 PARTICLE IN A 3-D CUBIC BOX

Lecture 27 26 FREE PARTICLE

Lecture 28 27 RIGID ROTATOR - PART 1

Lecture 29 28 RIGID ROTATOR - PART 2

Lecture 30 29 RIGID ROTATOR - PART 3

Lecture 31 30 RIGID ROTATOR - PART 4 - FINAL

Lecture 32 31 PARTICLE IN A RING

Lecture 33 32 SIMPLE HARMONIC OSCILLATOR - PART 1

Lecture 34 33 SIMPLE HARMONIC OSCILLATOR PART 2

Lecture 35 34 SIMPLE HARMONIC OSCILLATOR - PART 3

Lecture 36 35 SIMPLE HARMONIC OSCILLATOR - PART 4

Lecture 37 36 SIMPLE HARMONIC OSCILLATOR - PART 5 Final

Lecture 38 37 HYDROGEN - LIKE ATOM - PART 1

Lecture 39 38 HYDROGEN - LIKE ATOM - PART 2

Lecture 40 39 HYDROGEN -LIKE ATOM - PART 3

Lecture 41 40 HYDROGEN -LIKE ATOM - PART 4

Lecture 42 41 HYDROGEN -LIKE ATOM - PART 5

Lecture 43 42 HYDROGEN -LIKE ATOM - PART 6

Lecture 44 43 HYDROGEN -LIKE ATOM - PART 7

Lecture 45 44 NEED FOR APPRROXIMATE METHODS

Lecture 46 45 VARIATION METHOD

Lecture 47 46 APPLICATION OF VARIATION METHOD TO H - ATOM

Lecture 48 47 ELECTRON SPIN

Lecture 49 48 MANY-ELECTRON ATOM - HAMILTONIAN

Lecture 50 49 MANY-ELECTRON ATOM - WAVE FUNCTIONS

Lecture 51 50 SLATER DETERMINANTS

Lecture 52 51 SYMMETRIC AND ANTISYMMETRIC WAVE FUNCTIONS

Lecture 53 52 PAULI EXCLUSION PRINCIPLE AND GROUND STATE He ATOM

Lecture 54 53 EXCITED STATE He ATOM AND PAULI EXCLUSION PRINCIPLE

Lecture 55 54 VARIATION METHOD - He ATOM - PART 1

Lecture 56 55 VARIATION METHOD - He ATOM-(PART 2)

Lecture 57 56 PERTURBATION METHOD

Lecture 58 57 APPLICATION OF PERTURBATION METHOD TO HELIUM ATOM

Lecture 59 58 CHEMICAL BONDING - MO THEORY -LCAO APPROXIMATION

Lecture 60 59 BORN-OPPENHEIMER APPROXIMATION

Lecture 61 60 MO THEORY-HYDROGEN MOLECULE ION- PART 1

Lecture 62 61 MO THEORY-HYDROGEN MOLECULE ION- PART 2

Lecture 63 62 MO THEORY-HYDROGEN MOLECULE ION- PART 3

Lecture 64 63 MO THEORY-HYDROGEN MOLECULE ION ( Part 4 Final)

Lecture 65 64 HUCKEL MO THEORY

Lecture 66 65 SIMPLE HUCKEL MO CALCULATIONS - ETHYLENE

Lecture 67 66 SIMPLE HUCKEL MO CALCULATIONS - ALLYLIC SYSTEMS - PART 1

Lecture 68 67 SIMPLE HUCKEL MO CALCULATIONS - ALLYLIC SYSTEMS- PART 2

Who this course is for:
College level Chemistry students and teachers