Over the past two decades, some scholars have noticed the correlation between quantum mechanics and finance/economy, making some novel attempts to introduce the theoretical framework of quantum mechanics into financial and economic research, subsequently a new research domain called quantum finance or quantum economy was set up. In particular, some studies have made their endeavour in the stock market, utilizing the quantum mechanical paradigm to describe the movement of stock price. Nevertheless, the majority of researches have paid attention to describing the motion of a single stock, and drawn an analogy between the motion of a single stock and a one-dimensional infinite well, or one-dimensional harmonic oscillator model, whose modality looks alike to the one-electron Schr\"odinger equation, in which the information is solved analytically in most cases. Hitherto, the whole stock market system composed of all stocks and stock indexes have not been discussed. In this paper, the concept of stock molecular system is first proposed with pioneer. The modality of stock molecular system resembles the multi-electrons Schr\"odinger equation with Born-Oppenheimer approximation. Similar to the interaction among all nuclei and electrons in a molecule, the interaction exist among all stock indexes and stocks. This paper also establish the stock-index Coulomb potential, stock-index Coulomb potential, stock-stock Coulomb potential and stock coulomb correlation terms by statistical theory. At length, the conceive and feasibility of drawing upon density functional theory (DFT) to solve the Schr\"odinger equation of stock molecular system are put forward together with proof, ending up with experiments executed in CSI 300 index system.
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