Quantum Chemistry

Name: Quantum Chemistry
Rating: 2.9 (6 reviews)

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

Created byChitra Thomas

Last updated 2/2021

English

What you'll learn

Quantum Chemistry

Course content

2 sections • 68 lectures • 11h 33m total length

1 AN OVERVIEW OF QUANTUM MECHANICS10:35
Study an overview of quantum mechanics to establish a foundation for quantum chemistry, introducing key principles and notations essential to the field.

IMPORTANCE OF AMPLITUDE FUNCTION & CLASSICAL ENERGY EXPRESSION IN WAVE MECHANICS9:21
Explore the importance of the amplitude function and the classical energy expression in wave mechanics within quantum chemistry, linking wave descriptions to energy concepts.
MATHEMATICAL FOUNDATION FOR QUANTUM CHEMISTRY17:40
Delve into the mathematical foundation for quantum chemistry, building a solid framework to approach quantum chemical problems.
dE BROGLIE HYPOTHESIS17:35
Explore the de Broglie hypothesis and how it links particle momentum to wave behavior, underpinning quantum chemistry concepts.
HEISENBERG’S UNCERTAINTY PRINCIPLE15:20
Examine Heisenberg's uncertainty principle and its role in quantum chemistry. Understand how measurement limits shape interpretations of quantum states.
5 SCHRODINGER WAVE EQUATION13:03
Explore the Schrödinger wave equation and its role in quantum chemistry, highlighting how this foundational framework explains molecular behavior at the quantum level.
PHYSICAL SIGNIFICANCE OF THE ψ FUNCTION2:43
Explore the physical significance of the psi function in quantum chemistry and its role in describing molecular systems.
ACCEPTABLE /WELL-BEHAVED WAVE FUNCTIONS5:54
Explore acceptable and well-behaved wave functions in quantum chemistry, and learn why these functions are essential for accurate molecular descriptions.
QUANTUM MECHANICAL FORMALISM - OPERATOR CONCEPT (I)12:44
Explore the core of quantum mechanical formalism and the operator concept, introducing foundational ideas for quantum chemistry.
9 OPERATOR CONCEPT II -Eigenfunctions,Eigenvalues etc9:10
Explore operator concepts in quantum chemistry, focusing on eigenfunctions and eigenvalues, and learn how these determine quantum system properties.
10 OPERATOR CONCEPT III - HERMITIAN OPERATOR6:52
Investigate the hermitian operator as part of the 10th operator concept in quantum chemistry, clarifying its role.
11 CLASSICAL MECHANICS, OLD QUANTUM THEORY AND NEW WAVE MECHANICS6:11
Explore how classical mechanics transitions into old quantum theory and evolves into new wave mechanics, building a foundational understanding for quantum chemistry.
12 POSTULATES - POSTULATES 1 AND 2 (PART I ) - POSITION OPERATOR5:03
Delve into postulates 1 and 2 of quantum mechanics and their application to the position operator in quantum chemistry.
13 POSTULATES- POSTULATES 1 AND 2 (PART II ) - LINEAR MOMENTUM OPERATORS4:51
Explore postulates 1 and 2 (part II) in quantum chemistry, focusing on linear momentum operators and their role in quantum systems.
14 POSTULATES - POSTULATES 1 AND 2 (PART III ) - ENERGY OPERATORS6:02
Examine postulates 1 and 2 of quantum mechanics and their connection to energy operators, as introduced in the third part of the series.
15 POSTULATES -POSTULATES 1 AND 2 (PART IV ) - ANGULAR MOMENTUM OPERATORS9:57
Explore postulates 1 and 2 in part iv, and analyze how angular momentum operators define quantum state properties in quantum chemistry.
16 POSTULATES - POSTULATE 34:53
Examine postulate 3 within the 16 postulates that underpin quantum chemistry, highlighting its role in the theory.
17 POSTULATES - POSTULATE 42:17
Explore postulate 4 within the 17 postulates of quantum chemistry and understand its role in describing molecular systems.
18 POSTULATES - POSTULATE 55:05
The lecture caption is not provided; please share the full caption to generate a precise 1–2 sentence summary that captures postulate 5 in quantum chemistry.
19 TWO IMPORTANT THEOREMS RELATING TO THE POSTULATES3:43
In quantum chemistry, discover two important theorems relating to the postulates and their implications for the foundational understanding of quantum theory.
20 COMMUTATION RELATIONS -PART 13:58
Explore part 1 of the 20 commutation relations, introducing key concepts in quantum chemistry and the role of commutators.
21 COMMUTATION RELATIONS -PART 29:36
Explore the second part of the 21 commutation relations in quantum chemistry. Understand how these relations govern operator interactions and inform theoretical calculations.
22 PARTICLE IN A 1-D BOX - PART19:59
Explore the particle in a 1-d box model and its relevance to quantum chemistry in part 1, introducing foundational concepts and setup for quantized energy states.
23 PARTICLE IN A 1-D BOX - PART 27:16
Continue exploring the particle in a one-dimensional box in quantum chemistry, building on part 1 to deepen understanding of the model and its implications for quantized states.
24 PARTICLE IN A 1-D BOX - PART 3 - PROBLEMS & SOLUTIONS13:58
solve a series of problems and solutions for a particle in a 1-d box, emphasizing energy levels and quantum reasoning.
25 PARTICLE IN A 3-D CUBIC BOX12:46
Explore the quantum behavior of a particle in a 3-D cubic box within quantum chemistry, highlighting confinement and the emergence of quantum states.
26 FREE PARTICLE4:41
Explore the concept of a free particle within quantum chemistry as part of the quantum chemistry course.
27 RIGID ROTATOR - PART 19:46
Explore the rigid rotator concept in quantum chemistry in part 1 of the course, focusing on rotational motion and foundational models.
28 RIGID ROTATOR - PART 29:51
Advance understanding of the rigid rotator in quantum chemistry through part two of the series.
29 RIGID ROTATOR - PART 37:19
Explore part 3 of the rigid rotor topic in quantum chemistry, focusing on rotational motion and its energy levels within molecular systems.
30 RIGID ROTATOR - PART 4 - FINAL13:53
The final part of the rigid rotor topic in quantum chemistry, completing the series for students.
31 PARTICLE IN A RING11:15
Delve into the particle in a ring topic within quantum chemistry, as covered in lecture 31.
32 SIMPLE HARMONIC OSCILLATOR - PART 17:45
Explore part 1 of the simple harmonic oscillator in quantum chemistry, introducing its basic concepts and the first steps toward solving the oscillator problem.
33 SIMPLE HARMONIC OSCILLATOR PART 211:08
learn the simple harmonic oscillator concepts in quantum chemistry, part 2, exploring the quantum treatment of this classic model.
34 SIMPLE HARMONIC OSCILLATOR - PART 38:09
Explore the quantum simple harmonic oscillator in quantum chemistry, part 3, focusing on fundamental concepts and mathematical foundations.
35 SIMPLE HARMONIC OSCILLATOR - PART 46:24
Explore the simple harmonic oscillator in quantum chemistry. Advance to part 4 of the series to deepen your understanding of this topic.
36 SIMPLE HARMONIC OSCILLATOR - PART 5 Final12:42
Final part of the simple harmonic oscillator series in quantum chemistry, consolidating core ideas from part 5.
37 HYDROGEN - LIKE ATOM - PART 120:05
Please provide the lecture caption to generate a concise 1–2 sentence summary for the quantum chemistry course.
38 HYDROGEN - LIKE ATOM - PART 210:13
Explore hydrogen-like atoms in quantum chemistry, continuing the investigation into their structure, energy concepts, and implications for atomic models.
39 HYDROGEN -LIKE ATOM - PART 320:07
Delve into hydrogen-like atoms in quantum chemistry, part 3 of the series. Analyze their key concepts and how they fit into the broader course.
40 HYDROGEN -LIKE ATOM - PART 411:54
Explore hydrogen-like atoms in part 4, advancing core quantum chemistry concepts and tying together themes from the course on quantum chemistry.
41 HYDROGEN -LIKE ATOM - PART 53:48
Join a focused exploration of hydrogen-like atoms in part 5 of the quantum chemistry series, examining their structure, energy levels, and the implications for atomic theory.
42 HYDROGEN -LIKE ATOM - PART 610:51
Examine hydrogen-like atoms in quantum chemistry through part 6, focusing on the properties and behaviors of these simplified atomic models.
43 HYDROGEN -LIKE ATOM - PART 79:20
Explore hydrogen-like atoms in quantum chemistry, part 7 of the series, offering focused insights into their properties within simple one-electron systems.
44 NEED FOR APPRROXIMATE METHODS7:12
Explore the need for approximate methods in quantum chemistry. Understand the role of these methods in quantum chemistry.
45 VARIATION METHOD4:24
Examine the 45 variation method in quantum chemistry and its application to estimating energies and improving molecular modeling.
46 APPLICATION OF VARIATION METHOD TO H - ATOM13:59
Apply the variational method to the hydrogen atom to demonstrate its role in quantum chemistry.
47 ELECTRON SPIN4:20
Explore electron spin in quantum chemistry, highlighting how spin concepts shape understanding of atomic and molecular behavior.
48 MANY-ELECTRON ATOM - HAMILTONIAN12:10
Explore the Hamiltonian for a many-electron atom in quantum chemistry, and learn how this framework models electron interactions and the resulting atomic structure.
49 MANY-ELECTRON ATOM - WAVE FUNCTIONS6:49
explore the wave functions of many-electron atoms within quantum chemistry, and examine their mathematical properties and implications for understanding atomic behavior.
50 SLATER DETERMINANTS16:48
Explore 50 Slater determinants in quantum chemistry for a focused, concise overview of this topic.
51 SYMMETRIC AND ANTISYMMETRIC WAVE FUNCTIONS12:18
Explore how symmetric and antisymmetric wave functions shape the behavior of identical particles in quantum chemistry, covering construction, properties, and implications for molecular systems.
52 PAULI EXCLUSION PRINCIPLE AND GROUND STATE He ATOM11:01
Explore how the Pauli exclusion principle shapes the ground state of the helium atom and its implications for quantum chemistry.
53 EXCITED STATE He ATOM AND PAULI EXCLUSION PRINCIPLE15:51
Explore excited-state helium atoms and apply the Pauli exclusion principle to describe electron configurations in quantum chemistry.
54 VARIATION METHOD - He ATOM - PART 17:48
Learn the variation method as applied to the helium atom in this first part, introducing foundational concepts and setup for quantum chemistry calculations.
55 VARIATION METHOD - He ATOM-(PART 2)14:08
56 PERTURBATION METHOD16:30
Explore the perturbation method in quantum chemistry to understand its role in analyzing molecular systems.
57 APPLICATION OF PERTURBATION METHOD TO HELIUM ATOM9:00
Explore the application of the perturbation method to the helium atom in quantum chemistry. See how this method applies to the helium atom.
58 CHEMICAL BONDING - MO THEORY -LCAO APPROXIMATION18:03
Explore chemical bonding through MO theory, using the LCAO approximation to construct molecular orbitals and analyze bonding.
59 BORN-OPPENHEIMER APPROXIMATION8:32
Explore the Born-Oppenheimer approximation in quantum chemistry. Learn how this key concept simplifies molecular calculations.
60 MO THEORY-HYDROGEN MOLECULE ION- PART 118:27
Apply MO theory to the hydrogen molecule ion, introducing part 1 in this course for quantum chemistry learners.
61 MO THEORY-HYDROGEN MOLECULE ION- PART 210:44
Explore molecular orbital theory for the hydrogen molecular ion in part 2, detailing how atomic orbitals combine to describe energy and structure in H2+.
62 MO THEORY-HYDROGEN MOLECULE ION- PART 34:59
Delve into molecular orbital theory for the hydrogen molecule ion in part 3, examining how orbitals describe bonding and energy changes in H2+.
63 MO THEORY-HYDROGEN MOLECULE ION ( Part 4 Final)9:57
Explore molecular orbital theory for the hydrogen molecule ion in the final part of the series, detailing concepts related to MO theory and the hydrogen molecule ion.
64 HUCKEL MO THEORY14:03
Explore Hückel molecular orbital theory to understand the basics of molecular orbital approaches in quantum chemistry.
65 SIMPLE HUCKEL MO CALCULATIONS - ETHYLENE8:56
66 SIMPLE HUCKEL MO CALCULATIONS - ALLYLIC SYSTEMS - PART 114:42
Explore simple Hückel molecular orbital calculations for allylic systems, part 1, introducing foundational techniques in quantum chemistry.
67 SIMPLE HUCKEL MO CALCULATIONS - ALLYLIC SYSTEMS- PART 216:36
Master simple Huckel MO calculations for allylic systems in quantum chemistry, part 2, and apply basic molecular orbital concepts to analyze energy patterns in these systems.

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.

Who this course is for:

College level Chemistry students and teachers

Quantum Chemistry

What you'll learn

Explore related topics

Course content

Introduction1 lecture • 11min