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Parallel Calculation of the Electron Correlation Energy

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Parallel Calculation of the Electron Correlation Energy

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Ramos Peinado, E. (2014). Parallel Calculation of the Electron Correlation Energy. OALib Journal. (1):1-15. doi:10.4236/oalib.1100411

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/61401

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Title: Parallel Calculation of the Electron Correlation Energy
Author: Ramos Peinado, Enrique
UPV Unit: Universitat Politècnica de València. Departamento de Sistemas Informáticos y Computación - Departament de Sistemes Informàtics i Computació
Issued date:
Abstract:
Calculation of electron correlation energy in molecules involves a very important computational effort, even in the simplest cases. Nowadays, using the new parallel libraries (PETSc and SLEPc) and MPI, we can resolve this ...[+]
Subjects: Electron Correlation Energy , Chemical Molecular Properties Chemical Computation , Large-Scale , Eigenvalue Problem , SLEPc , PETSc , Message-Passing Parallelization , MPI
Copyrigths: Reconocimiento (by)
Source:
OALib Journal. (issn: 2333-9721 )
DOI: 10.4236/oalib.1100411
Publisher:
Open Access Library
Publisher version: http://dx.doi.org/10.4236/oalib.1100411
Type: Artículo

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