DOI: 10.1021/ct9004917. Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

10.1021/ct9004917

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Xie, Z., & Bowman, J. M. (2009). Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization. Journal of Chemical Theory and Computation, 6(1), 26â34.

Authors 2

Zhen Xie (first)
Joel M. Bowman (additional)

References 32 Referenced 294

{'key': 'ref1/cit1', 'volume-title': 'Molecular Potential Energy Functions', 'author': 'Murrell J. N.', 'year': '1984'} / Molecular Potential Energy Functions by Murrell J. N. (1984)
10.1103/RevModPhys.61.669 / Rev. Mod. Phys. by Schatz G. C. (1989)
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iOpenShell;iOpenShell:University of Southern California, Los Angeles, CA;http://iopenshell.usc.edu/.
Xie, Z.Ph.D. thesis,Emory University,Atlanta, GA, 2008.
MSA Code;Argonne National Laboratory, Mathematics and Computer Science Division:Argonne, IL;http://www.mcs.anl.gov/msa.
10.1063/1.1555974 / J. Chem. Phys. by Huang X. (2003)
10.1063/1.1574784 / J. Chem. Phys. by Rajamaki T. (2003)
Werner, H.J.; Knowles, P. J.; Lindh, R.; Schütz, M.MOLPRO, version2002.6;University College Cardiff Consultants Limited:Wales, U.K.; 2003.
10.1063/1.2839303 / J. Chem. Phys. by Wang Y. (2008)
10.1021/jp048339l / J. Phys. Chem. A by Zhang X. B. (2004)

Dates

Type	When
Created	15 years, 9 months ago (Nov. 23, 2009, 9:51 a.m.)
Deposited	2 years, 5 months ago (March 15, 2023, 1:27 a.m.)
Indexed	1 month, 1 week ago (July 24, 2025, 8:17 a.m.)
Issued	15 years, 9 months ago (Nov. 23, 2009)
Published	15 years, 9 months ago (Nov. 23, 2009)
Published Online	15 years, 9 months ago (Nov. 23, 2009)
Published Print	15 years, 7 months ago (Jan. 12, 2010)

Funders 0

None

BibTeX

@article{Xie_2009, title={Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization}, volume={6}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct9004917}, DOI={10.1021/ct9004917}, number={1}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Xie, Zhen and Bowman, Joel M.}, year={2009}, month=nov, pages={26–34} }

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