Advanced Theoretical Chemistry I
Linear Algebra, Quantum Mechanics, Approximations, Many Particles
Ma-TC-A I
Classical and Quantum Mechanics | |||
|
|
|
|
Linear Approximations, Linear Space, Scalar Product, Vector Representations | |||
|
|
|
|
|
|
|
|
|
|
||
Operator Representations, Eigenfunction Approximation, QM Model Systems, Variance, Eigenbasis | |||
|
|
|
|
|
|
||
Spherical Harmonics, H-Atom Eigenfunctions, Isosurface Plots, Linear Transformations in Vector (Function) Space | |||
|
|
|
|
|
|
|
|
Basis Set Expansions in 2D | |||
|
|
|
|
|
|
||
Many Particles, QM Measurement, One-Particle Basis Setup in 3D | |||
|
|
|
|
|
|
|
|
Hartree-Fock, Orbitals: Canonical, Localized, Unitary Invariance | |||
|
|
|
|
|
|
|
|
1- and 2-Densities and 1-Density Matrices: True Qualitative Shape and Method Artifacts | |||
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||
Origin of Bonding | |||
|
|
|
|
|
|||