Lesson 1

Welcome ! After finished Unit 0 which suggests you about the useful website and Youtube channel for beginner for getting them prior required knowledge in Linux and Quantum Chemistry. In this unit you are already supposed to know the detail in computational chemistry as well as having idea about doing a experiment in computer as called 'simulation'. So we are going to understand the electronics structure and properties of molecule. All those thing that wa want to know is kept within Wave function (Ψ). The eventual goal of Quantum chemist and physicist is want to know what wave function of electron(s) exactly is which is still the most difficult question and can not be solve analytically, exceptionally one electron system like Hydrogen-like atom. Unfortunately, for the many-body system there are many interaction between electrons as we do not know where they are too. This means there is no way to know the exact value of wave function of electrons since having electron more than 1 electron. Therefore, the best thing that scientist can do now is trying to find the best computational method to approximate wave function by using computational chemistry technique. Since the accuracy of approximation depends on the level of method, higher level method leads to very high complexity of computation, the high performance computer (HPC) is a most important tool to help the scientist solving their problem. Moreover, the meaning of wave function is nicely written in Wikipedia https://en.wikipedia.org/wiki/Wave_function.

Please be interested !! Schrödinger Equation explaining here is a good article for a beginner in Quantum Chemistry. http://scienceworld.wolfram.com/physics/SchroedingerEquation.html