Explore the fundamental concept of Z-matrix in this concise 11-minute lecture from NPTEL-NOC IITM. Gain a clear understanding of the Z-matrix structure, its applications in molecular geometry representation, and its significance in computational chemistry. Learn how to construct and interpret Z-matrices for various molecular systems, and discover their role in optimizing molecular structures and performing quantum chemical calculations. Delve into the advantages of using Z-matrices over Cartesian coordinates for describing molecular geometries, particularly for large and complex molecules.
Overview
Syllabus
Idea of Z-matrix
Taught by
NPTEL-NOC IITM
Related Courses
-
2D Finite Element Method: Matrix Assembly - Part 1
-
LAMMPS Exercises - Part 1
-
1D Finite Element Method: Matrix Assembly for 1D Wave Equation
-
Code-It-Yourself 3D Graphics Engine - Triangles and Projection - Part 1
-
A Non-Hermitian Approach to the Representability Issue in Density-Matrix Embedding Theory
-
Geometry Optimization in Q-Chem - 2023 Virtual Winter School in Computational Chemistry
