NPTEL : NOC:Approximate Methods in Quantum Chemistry (Chemistry and Biochemistry)

Co-ordinators : Prof. Sabyashachi Mishra


Lecture 1 - Review of Quantum Chemistry

Lecture 2 - Postulates of Quantum Mechanics - I

Lecture 3 - Postulates of Quantum Mechanics - II

Lecture 4 - Exactly Solvable Models - I

Lecture 5 - Exactly Solvable Models - II

Lecture 6 - Exactly Solvable Models - II (Continued...)

Lecture 7 - Variational Principle - I

Lecture 8 - Variational Principle - II

Lecture 9 - Variational Method: Applications - I

Lecture 10 - Linear Variational Method

Lecture 11 - Applications of Linear Variational Method

Lecture 12 - Variational Method in Chemical Bonding - I

Lecture 13 - Variational Method in Chemical Bonding - II

Lecture 14 - Variational Method in Chemical Bonding - III

Lecture 15 - Molecular Orbital Treatment of Polyatomics

Lecture 16 - Molecular Orbital Treatment of Polyatomics

Lecture 17 - Perturbation Theory

Lecture 18 - Examples of Perturbation Theory - I

Lecture 19 - Examples of Perturbation Theory - II

Lecture 20 - Molecular Response to Electric Field - I

Lecture 21 - Molecular Response to Electric Field - II

Lecture 22 - Degenerate Perturbation Theory

Lecture 23 - Excited States of He Atom - I

Lecture 24 - Excited States of He Atom - II

Lecture 25 - Slater Determinants - I

Lecture 26 - Slater Determinants - II

Lecture 27 - Energy Expectation Value with Slater Determinants - I

Lecture 28 - Energy Expectation Value with Slater Determinants - II

Lecture 29 - Self-Consistent Field Method

Lecture 30 - Canonical HF Equations

Lecture 31 - Hartree-Fock Energy

Lecture 32 - Hartree-Fock-Roothan Equations

Lecture 33 - The Density Matrix

Lecture 34 - Evaluation of Molecular Properties

Lecture 35 - Basis Sets - I

Lecture 36 - Basis Sets - II

Lecture 37 - Electron Correlation and Post HF Methods

Lecture 38 - Time-Dependent Perturbation Theory - I

Lecture 39 - Time-Dependent Perturbation Theory - II

Lecture 40 - Slowly Switched Constant Perturbation

Lecture 41 - Oscillating Perturbation

Lecture 42 - Einstein’s Coefficients