We propose an electronic structure calculation scheme for ground and low-lying excited states of molecular systems by using the generalized coherent state for fermion, where the coefficients of the coherent states are determined by a stochastic approach. This method has both the advantage of the ordinary quantum Monte Carlo and that of the direct diagonalization methods and does not suffer from the negative sign problem. We demonstrate a performance of the present method. (C) 2001 John Wiley & Sons, Inc. [References: 11]
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机译:通过使用广义的费米子相干态,我们提出了分子系统基态和低激发态的电子结构计算方案,其中相干态的系数由随机方法确定。该方法既具有普通量子蒙特卡洛方法的优点,又具有直接对角化方法的优点,并且不存在负号问题。我们演示了本方法的性能。 (C)2001 John Wiley&Sons,Inc. [参考:11]
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