Introductory Quantum Mechanics with MATLAB: For Atoms, Molecules, Clusters, and NanocrystalsJohn Wiley & Sons, 4 de gen. 2019 - 224 pàgines Presents a unique approach to grasping the concepts of quantum theory with a focus on atoms, clusters, and crystals Quantum theory of atoms and molecules is vitally important in molecular physics, materials science, nanoscience, solid state physics and many related fields. Introductory Quantum Mechanics with MATLAB is designed to be an accessible guide to quantum theory and its applications. The textbook uses the popular MATLAB programming language for the analytical and numerical solution of quantum mechanical problems, with a particular focus on clusters and assemblies of atoms. The textbook is written by a noted researcher and expert on the topic who introduces density functional theory, variational calculus and other practice-proven methods for the solution of quantum-mechanical problems. This important guide: -Presents the material in a didactical manner to help students grasp the concepts and applications of quantum theory -Covers a wealth of cutting-edge topics such as clusters, nanocrystals, transitions and organic molecules -Offers MATLAB codes to solve real-life quantum mechanical problems Written for master's and PhD students in physics, chemistry, material science, and engineering sciences, Introductory Quantum Mechanics with MATLAB contains an accessible approach to understanding the concepts of quantum theory applied to atoms, clusters, and crystals. |
Continguts
The Hydrogen Atom | 5 |
Manyelectron Atoms | 19 |
The Free Electron Gas | 29 |
Density Functional Theory | 37 |
Pseudopotential Theory | 45 |
Methods for Atoms | 59 |
Methods for Molecules Clusters and Nanocrystals | 71 |
Engineering Quantum Mechanics | 97 |
Atoms | 107 |
Molecules | 125 |
Atomic Clusters | 153 |
Nanocrystals | 177 |
A Units | 199 |
Frases i termes més freqüents
accurate allows applied approach approximation assume atom band basis better bond length bulk calculations called carbon charge density clusters compute configuration consider constant construct contains coordinates core correct corresponding crystal defined density functional theory dependence determine dºr effective eigenvalue electric electron elements energy levels equation estimate example exchange excited exist experiment expression factor field Figure finite forces free electron frequency given gives Hamiltonian Hartree hydrogen atom illustrate initial integral interaction ionization issue Kohn–Sham limit lowest magnetic mass matrix means measured metal method modes molecular molecule momentum nanocrystal obtain occupied operation optical orbitals Physical plane polarizability position potential principle problem properties pseudopotential quantum mechanics scale silicon simple solution solve space structure Suppose surface Table temperature term total energy units valence vibrational wave function write yields