Molecular simulation study on hydrogen gas via quantum description

• Main Author: Gan, Hong En
• Other Authors: Kwak Sang Kyu
• Format: Final Year Project
• Language: English
• Published: 2009
• Subjects: DRNTU::Science::Chemistry::Physical chemistry::Quantum chemistry
• Online Access: http://hdl.handle.net/10356/16829
• Institution: Nanyang Technological University

The project comprises 4 parts. In part 1, the author was required to understand the various important concepts of quantum mechanics and then plot the contour plot of hydrogenic atoms. In part 2, the author was then asked to verify the validity of percentage electron probability densities published i...