NOC:Many Body Methods in Quantum Chemistry

Lecture 1 - Failure of classical mechanics

Lecture 2 - Postulates of quantum mechanics

Lecture 3 - Postulate 5 and 6

Lecture 4 - Overview of exactly solvable system

Lecture 5 - Introduction to many electron problem

Lecture 6 - Non-interacting and interacting quantum particles

Lecture 7 - Spin orbital concept

Lecture 8 - Slater determinant introduction

Lecture 9 - Form of exact wave function for interacting particles

Lecture 10 - A brief introduction to Configuration Interaction (CI)

Lecture 11 - Variational method and Rayleigh-Ritz variation

Lecture 12 - Linear variation method

Lecture 13 - Hartree-Fock theory introduction

Lecture 14 - Slater rules for matrix elements

Lecture 15 - Spin integrated for closed shell determinant

Lecture 16 - Examples of spin integrated determinants

Lecture 17 - Introduction to Lagrange variation

Lecture 18 - General lagrange variation

Lecture 19 - Lagrange variation to minimize the the Hartree-Fock energy

Lecture 20 - Non-canonical HF equation

Lecture 21 - Interpretation of coulomb and exchange terms

Lecture 22 - Unitary transformation of non-canonical HF equation

Lecture 23 - Canonical Hartree-Fock equation

Lecture 24 - Koopmans' approximation for IP

Lecture 25 - Koopmans' approximation for EA

Lecture 26 - Spin integrated Hartree-Fock for closed shell system (RHF)

Lecture 27 - Molecular Hartree-Fock introduction

Lecture 28 - Hartree-Fock Rothaan Hall equation

Lecture 29 - Symmetry of two electron integrals

Lecture 30 - HF Roothan equation in terms of atomic orbitals

Lecture 31 - Koopmans' IP for molecules

Lecture 32 - Koopmans' EA for molecules

Lecture 33 - Roothaan equation in orthonormalized basis

Lecture 34 - Review of Hartree-Fock theory

Lecture 35 - Charge density, Bond order and Population analysis

Lecture 36 - Dipole Moment

Lecture 37 - Introduction to basis set

Lecture 38 - Dunning and Pople basis set

Lecture 39 - Polarization and diffuse function

Lecture 40 - Brillouin's theorem and Slater's rule type-2

Lecture 41 - Slater rule type-2

Lecture 42 - Spin adapted determinant

Lecture 43 - Dissociation of Hydrogen molecule problem

Lecture 44 - Inadequacies of restricted Hartree-Fock theory

Lecture 45 - Hartree-Fock perturbation theory and correlation correction

Lecture 46 - Hartree-Fock perturbation theory (Continued...)

Lecture 47 - Introduction of 2nd order perturbation theory

Lecture 48 - Intermediate normalization and an expression for the Correlation energy

Lecture 49 - Slater rule -3 and derivation of 2-nd order perturbation energy

Lecture 50 - Physical insight of pair correlation theory

Lecture 51 - Introduction to configuration intercation (CI)

Lecture 52 - Determine the parameter of CI

Lecture 53 - Construction of CIS hamiltonian matrix

Lecture 54 - Importance of doubly excited determinants in correlation contribution

Lecture 55 - Intermediate normalization and an expression for the Correlation energy

Lecture 56 - CI equation in terms of Normal-Ordered hamiltonian

Lecture 57 - Doubly excited CI function (D-CI)

Lecture 58 - Matrix structure of CISD (singly and doubly excited CI)

Lecture 59 - Some illustrative example

Lecture 60 - Effects of singly excited determinant in the calculation

Lecture 61 - D-CI for non-interacting hydrogen molecules

Lecture 62 - Size consistency problem in truncated CI

Lecture 63 - N-dependence of D-CI correlation energy

Lecture 64 - problem of truncating CI

Lecture 65 - Introduction of second quantization operator in quantum mechanics

Lecture 66 - Creation and annihilation operator and their properties

Lecture 67 - Operators in second quantization

Lecture 68 - Some basic examples related with second quantization operator

Lecture 69 - Hole-Particle formalism

Lecture 70 - Hugenholtz rule for diagrammatic construction of MP perturbation theory

Lecture 71 - Linked cluster diagram

Lecture 72 - Energy expression for higher order Moller-Plasset perturbation theory

Lecture 73 - Diagrammatic representation of MP3 energy and some practice problem

Lecture 74 - Overview of the some other correlation calculation method

Lecture 75 - A brief introduction to Coupled cluster theory