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Ramos, E., Daz, W. and Cerverón, V. (1998) Paralelización bajo PVM del cálculo de la energa de correlación electrónica mediante revestimiento de matrices, IX Jornadas de Paralelismo. Universidad del País Vasco, San Sebastián.

has been cited by the following article:

• TITLE: Parallel Calculation of the Electron Correlation Energy

  AUTHORS: E. Ramos

  KEYWORDS: Electron Correlation Energy, Chemical Molecular Properties Chemical Computation, Large-Scale Eigenvalue Problem, SLEPc, PETSc, Message-Passing Parallelization, MPI

  JOURNAL NAME: Open Access Library Journal, Vol.1 No.2, May 28, 2014

  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 calculation faster and with very big molecules. This result is a very important advance in chemical computation.