A distributed-memory implementation of the MCHF atomic structure package

DOI10.1007/BF01204658zbMath0802.65125OpenAlexW1994141747MaRDI QIDQ1332570

Charlotte Froese Fischer, Murry Bentley, Ming Tong, Zuchang Shen, C. Ravimohan

Publication date: 11 December 1994

Published in: The Journal of Supercomputing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/bf01204658

zbMATH Keywords

performancematrix eigenvalue problemdistributed-memory systemsdistribution strategies and performanceintel iPSC/860multiconfiguration Hartree-Fock atomic structure packageparallel atomic structure calculations

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) PDEs in connection with quantum mechanics (35Q40) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Software, source code, etc. for problems pertaining to quantum theory (81-04) Applications to the sciences (65Z05)

Related Items

The grasp2k relativistic atomic structure package

Cites Work

• Unnamed Item
• GRASP92: a package for large-scale relativistic atomic structure calculations
• Multitasking the calculation of angular integrals on the CRAY-2 and CRAY X-MP
• Hypercube conversion of serial codes for atomic structure calculations
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
• The MCHF atomic-structure package
• A Parallel Triangular Solver for a Distributed-Memory Multiprocessor
• An analysis of the fixed-cycle traffic-light problem