Wavefunction correction scheme for non fixed-node diffusion Monte Carlo

被引:0
|
作者
Dugan, Nazim [1 ]
Kanik, Inanc [1 ]
Erkoc, Sakir [1 ]
机构
[1] Middle East Tech Univ, Dept Phys, TR-06531 Ankara, Turkey
来源
关键词
quantum Monte Carlo; diffusion Monte Carlo; fermions;
D O I
10.4208/jams.072810.082010a
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Wavefunction correction scheme, which was developed as a variance reduction tool for the pure and fixed-node diffusion Monte Carlo (DMC) computations by Anderson and Freihaut, is applied to the DMC computations of fermions without using the fixed-node constraint. This technique is found to be suitable for the non fixed-node calculations because of the significant decreases observed in the computation efforts in the benchmark computations for calculating results with certain statistical error values.
引用
收藏
页码:1 / 9
页数:9
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