Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (10): 1636.
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HUANG Hong-Xin1, CAO Ze-Xing2
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Abstract: Anew algorithm of the variational quantum Monte Carlo(VMC) calculations, called the minimum variance(MV) method, is reported in this paper. This algorithm takes the internal structure of a local energy as starting point, and directly reduces its fluctuation in order to make the variance decrease to the minimum. An analytical expression of the local energy is presented.
Key words: Variational quantum Monte Carlo method, Local energy, Minimum variance, Energy splitting
CLC Number:
O641.2
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HUANG Hong-Xin, CAO Ze-Xing . A New Algorithm for Variational Quantum Monte Carlo Method[J]. Chem. J. Chinese Universities, 1998, 19(10): 1636.
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http://www.cjcu.jlu.edu.cn/EN/Y1998/V19/I10/1636