TY - JOUR
T1 - Wavefunction Correction Scheme for Non Fixed-Node Diffusion Monte Carlo
AU - Dugan , Nazim
AU - Kanik , Inanc
AU - Erkoc , Sakir
JO - Journal of Atomic and Molecular Sciences
VL - 1
SP - 1
EP - 9
PY - 2011
DA - 2011/02
SN - 2
DO - http://doi.org/10.4208/jams.072810.082010a
UR - https://global-sci.org/intro/article_detail/jams/8100.html
KW - quantum Monte Carlo, diffusion Monte Carlo, fermions.
AB - <p style="text-align: justify;">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.</p>