NOC:Computational Quantum Chemistry

Lecture 1 - Why Computational Chemistry

Lecture 2 - Revisiting Quantum Mechanics - I

Lecture 3 - Revisiting Quantum Mechanics - II

Lecture 4 - Introduction to ORCA, Quantum Chemistry Package

Lecture 5 - The Hartree-Fock Approximation

Lecture 6 - Introduction to GUI - I

Lecture 7 - Introduction to GUI - II

Lecture 8 - Introduction to GUI - III

Lecture 9 - Open-Shell Systems - I

Lecture 10 - Open-Shell Systems - II

Lecture 11 - Open-Shell Systems - III

Lecture 12 - Solving Homework Problems of HF

Lecture 13 - Solving Homework Problems of Open-Shell

Lecture 14 - Introduction to Basis set - I

Lecture 15 - Introduction to Basis set - II

Lecture 16 - Introduction to Basis set - III

Lecture 17 - Basis Set Superposition Error and Counterpoise Correction

Lecture 18 - Introduction to Electron Correlation

Lecture 19 - Møller Plesset Perturbation Theory

Lecture 20 - Configuration Interaction

Lecture 21 - Coupled Cluster Theory

Lecture 22 - Solving Homework Problems of MP2

Lecture 23 - Solving Homework Problems of Coupled Cluster

Lecture 24 - Lower Scaling Approximation - I (Density Fitting and Chain of Sphere)

Lecture 25 - Lower Scaling Approximation - II (Local Orbital and Natural Orbital)

Lecture 26 - Complete Basis Set Extrapolation

Lecture 27 - Exact Density Functional Theory - I

Lecture 28 - Exact Density Functional Theory - II

Lecture 29 - Practical Density Functional Theory - I

Lecture 30 - Practical Density Functional Theory - II

Lecture 31 - Hybrid Density Functional Theory - I

Lecture 32 - Hybrid Density Functional Theory - II

Lecture 33 - Hybrid Density Functional Theory - III

Lecture 34 - Hybrid Density Functional Theory - IV

Lecture 35 - Homework Problem of DFT

Lecture 36 - Potential Energy Surface - I

Lecture 37 - Potential Energy Surface - II

Lecture 38 - Potential Energy Surface - III

Lecture 39 - IR and Raman Spectroscopy - I

Lecture 40 - IR and Raman Spectroscopy - II

Lecture 41 - Homework problem of Potential Energy Surface

Lecture 42 - Thermochemistry - I

Lecture 43 - Thermochemistry - II

Lecture 44 - Thermochemistry - III

Lecture 45 - Transition state search - I

Lecture 46 - Transition state search - II

Lecture 47 - Transition state search - III

Lecture 48 - Transition state search - IV

Lecture 49 - Homework problem of Transition State Search

Lecture 50 - Multi-layer Modelling - Molecular Mechanics

Lecture 51 - QM/MM - I

Lecture 52 - QM/MM - II

Lecture 53 - QM/MM - III

Lecture 54 - QM/MM - IV

Lecture 55 - QM/MM - V

Lecture 56 - Homework problem of QM/MM

Lecture 57 - Excited state methods - CIS and TDDFT

Lecture 58 - Excited state methods (Continued...)

Lecture 59 - Excited state method - EOMCCSD

Lecture 60 - Charge transfer excitation

Lecture 61 - X-Ray Spectroscopy

Lecture 62 - Homework problem of Excited State Spectra

Lecture 63 - Solvation models - I

Lecture 64 - Solvation models - II

Lecture 65 - Solvation models - III

Lecture 66 - Explicit solvation - I

Lecture 67 - Explicit solvation - II

Lecture 68 - Additional Homework Problem of Week 7

Lecture 69 - NMR

Lecture 70 - Relativistic Quantum Chemistry

Lecture 71 - CASSCF - I

Lecture 72 - CASSCF - II

Lecture 73 - CASSCF - III