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pro vyhledávání: '"James S. Sims"'
Publikováno v:
Atoms, Vol 11, Iss 7, p 107 (2023)
The exponentially correlated Hylleraas–configuration interaction method (E-Hy-CI) is a generalization of the Hylleraas–configuration interaction method (Hy-CI) in which the single rij of an Hy-CI wave function is generalized to a form of the gene
Externí odkaz:
https://doaj.org/article/f08b1ea489cb4b4cae08488c5ab635a2
Publikováno v:
International Journal of Quantum Chemistry. 122
Publikováno v:
New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes ISBN: 9780128235461
This review presents a survey of the most important achievements in atomic and molecular calculations obtained with the Hylleraas-configuration interaction method (Hy-CI) and its extension, the exponentially correlated Hylleraas-configuration interac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d374ab8cf53daf1ebe14a6c81edd6d1
https://doi.org/10.1016/bs.aiq.2021.05.010
https://doi.org/10.1016/bs.aiq.2021.05.010
Autor:
James S. Sims, María Belén Ruiz
Publikováno v:
Journal of Research of the National Institute of Standards and Technology. 125
A computationally fast Fortran 90+ quadruple precision portable parallel GRSDEP (generalized real symmetric-definite eigenvalue problem) package suitable for large (80,000 x 80,000 or greater) dense matrices is discussed in this paper.
Publikováno v:
Int J Quantum Chem
A generalization of the Hylleraas-Configuration Interaction method (Hy-CI) first proposed by Wang, et al.(), the Exponentially Correlated Hylleraas-Configuration Interaction method (E-Hy-CI) in which the single r(ij) of an Hy-CI wave function is gene
Autor:
James S. Sims
Publikováno v:
Journal of Research of the National Institute of Standards and Technology. 125
In a previous work Sims and Hagstrom [J Chem Phys 140,224312(2014)] reported Hylleraas-configuration interaction (Hy-CI) method variational calculations for the 1S ground states of the beryllium isoelectronic sequence with an estimated accuracy of 10
Autor:
James S, Sims
Publikováno v:
Journal of physics. B, Atomic, molecular, and optical physics : an Institute of Physics journal. 50(24)
In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1S ground states of the beryllium isoelectronic sequen
Autor:
Marc Olano, Steven G. Satterfield, Wesley Griffin, James S. Sims, John G. Hagedorn, Terence J. Griffin, Judith E. Terrill, William L. George
Publikováno v:
SEARIS
Content creation for realtime interactive systems is a difficult problem. In game development, content creation pipelines are a major portion of the code base and content creation is a major portion of the budget. In research environments, the choice
Autor:
James S. Sims
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 50:245003
In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1S ground states of the beryllium isoelectronic sequen
Autor:
John G. Hagedorn, Steven G. Satterfield, Jose G. Diaz, John T. Kelso, James S. Sims, Judith Devaney Terrill, Howard Hung, Marc Olano, Adele P. Peskin, William L. George, Garnett W. Bryant, Terence J. Griffin
Publikováno v:
Journal of Research of the National Institute of Standards and Technology
This is the third in a series of articles that describe, through examples, how the Scientific Applications and Visualization Group (SAVG) at NIST has utilized high performance parallel computing, visualization, and machine learning to accelerate scie