The Feynman path integral method is applied to the many-electron problem of quantum chemistry. We begin with constructing new closure relations in terms of the linear combination of atomic orbital (LCAO) coefficients and investigate the transition amplitude and the partition function of the system in question; then a ''classical path of electrons,'' which is described by the time-dependent Hartree-Fock-Roothaan equation, is obtained by minimizing the action integral of the system with respect to the ''electron coordinate.'' The next order approximation is obtained by evaluating the deviation from this classical path, which is approximately written by a Gaussian integral. The result is expected to be the random-phase approximation. (C) 1996 John Wiley & Sons, Inc. [References: 17]
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机译:费曼路径积分法应用于量子化学的多电子问题。我们首先根据原子轨道(LCAO)系数的线性组合构造新的闭合关系,然后研究相关系统的跃迁幅度和分配函数。然后通过使系统相对于“电子坐标”的作用积分最小化来获得由时变的Hartree-Fock-Roothaan方程描述的“电子的经典路径”。通过评估与该经典路径的偏差获得近似值,该偏差近似由高斯积分表示。预期结果是随机相位近似。 (C)1996 John Wiley&Sons,Inc. [参考:17]
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