It is of central importance to the theory of quantum mechanics, playing a role analogous to Newton's second law in classical mechanics. In physics, the Schrödinger equation, proposed by the Austrian physicist Erwin Schrödinger in 1925, describes the space- and time-dependence of quantum mechanical systems. Deepening and Realization of the Quantum Principles in Chemistry, H.2007 Schools Wikipedia Selection.Inverse Schrödinger Equation and the Exact Wave Function, H.Iterative CI General Singles and Doubles (ICIGSD) Method for Calculating the Exact Wave Functions of the Ground and Excited States of Molecules, H.Iterative Configuration Interaction Method for Molecular Systems within Finite Basis, H. Excited Sates from Exponential Ansatz and Comparative Calculations by the Iterative Configuration Interaction and Extended Coupled Cluster Theories, H. Iterative Configuration Interaction Method, H. Structure of the Exact Wave Function, H.
2013.Ĭlick here to download the poster at SC13. Our project of solving the Schrödinger Equations was accepted as the TSUBAME Ground Challenge Program 2013 at Tokyo Institute of Technology, and the results were presented in SC13 at Denver, USA in 17-22, Nov.
Our project was accepted as the TSUBAME Ground Challenge Program at Tokyo Institute of Technology, and it was presented in SC13(Denver, USA) This is actively studied in the laboratory of QCRI in Kyoto. It is a big challenging subject to develop an efficient methodology of the FC method that is applicable to a wide subject of chemistry and chemical science.
So, thereafter, all we have to do is to calculate the expansion coefficients with the variation principle or the LSE method. The Hamiltonian of the system involves all the information of the system and produces the complement functions that span the exact solution of the Schroedinger equation. Thus, the FC method is a general method for solving the Schroedinger equation. A merit of the LSE method is that it is applicable even for the system whose complement functions are difficult for evaluating their integrals. In the latter method, we use the local Schroedinger equations at several coordinates in molecules as the necessary conditions of the Schroedinger equation. So, all we have to do thereafter is to calculate the expansion coefficients ci and this is done with the variation method or the local Schroedinger equation (LSE) method. With the FC method, the so-called “complement functions” that span the exact wave function (the solution of the Schroedinger equation) are generated automatically by using the Hamiltonian of the system. Among the several methods found by him, the most frequently used one is the free complement (FC) method. However, recently, this method was discovered by Dr. Despite of the efforts of many theoretical scientists, general method of solving the Schroedinger equation has not been found for 80 years. This fact was known since the discovery of the Schroedinger equation in 1926. Schrödinger equation governs the world of chemistry and chemical science.