Ab initio quantum chemistry based on QM (Quantum Mechanics) principles has played a crucial role in comprehending and modelling atoms and molecules. John Pople and Walter Kohn were awarded The Nobel Prize in 1998 thanks to their success in theoretical chemistry . The convention ab initio wave function became the second most exciting approach, following DFT since DTF uses 4N variables (three spatial and one spin variable for each of the N electrons) to solve the Schrodinger equation . Also, a model uses the electronic Schrodinger equation calculating by considering the electron density, the position of electrons, and the particle energy level, called model chemistry . Hamiltonian is just a mathematical description of the operation . The description of the system using the equation is challenging since the equation has various variables based on the probability of several statuses. Therefore, even if the supercomputers making the quantum calculation have millions and millions of lines of code to increase accuracy, it is not fast enough to explain and model every existing system. The number of possibilities is almost infinite; therefore, scientists have spent time finding a mathematical algorithm to decrease computational work as well as the time of the process . To solve the equation, we need to describe the wave function based on the wave function of the hydrogenic atom since it is the only solution to the Schrodinger equation. Therefore, predicting imaginary wave function and calculation Hamiltonian becomes clear one side of the equation, only if the wave function is actual, this equation is correct .