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Volume 2, Issue 1
Wavefunction Correction Scheme for Non Fixed-Node Diffusion Monte Carlo

Nazim Dugan, Inanc Kanik & Sakir Erkoc

DOI: 10.4208/jams.072810.082010a

J. At. Mol. Sci., 2 (2011), pp. 1-9.

Published online: 2011-02

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  • Abstract

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.

  • Keywords

quantum Monte Carlo, diffusion Monte Carlo, fermions.

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

erkoc@metu.edu.tr (Sakir Erkoc)

  • BibTex
  • RIS
  • TXT
@Article{JAMS-2-1, author = {Dugan , NazimKanik , Inanc and Erkoc , Sakir}, title = {Wavefunction Correction Scheme for Non Fixed-Node Diffusion Monte Carlo}, journal = {Journal of Atomic and Molecular Sciences}, year = {2011}, volume = {2}, number = {1}, pages = {1--9}, abstract = {

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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.072810.082010a}, url = {http://global-sci.org/intro/article_detail/jams/8100.html} }
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 -

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.

Dugan , NazimKanik , Inanc and Erkoc , Sakir. (2011). Wavefunction Correction Scheme for Non Fixed-Node Diffusion Monte Carlo. Journal of Atomic and Molecular Sciences. 2 (1). 1-9. doi:10.4208/jams.072810.082010a
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