Parallel fast Fourier transforms for electronic structure calculations

Computer Physics Communications

Volumn 130, Issue 1, 2000, Pages 130-136

  Haynes, Peter D ^a   Côté, Michel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FAST FOURIER TRANSFORMS; ITERATIVE METHODS; MATRIX ALGEBRA; PARALLEL ALGORITHMS; PARALLEL PROCESSING SYSTEMS; WAVE EQUATIONS;

HAMILTONIAN MATRIX; LOAD BALANCING;

ELECTRONIC STRUCTURE;

EID: 0034228674     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00049-7     Document Type: Article

References (6)

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2. J. Ihm, A. Zunger, M.L. Cohen, Momentum-space formalism for the total energy of solids, J. Phys. C 12 (1979) 4409-4422.
3. J.W. Cooley, J.W. Tukey, An algorithm for the machine calculation of complex Fourier series, Math. Comput. 19 (1965) 297-301.
4. L.J. Clarke, I. Štich, M.C. Payne, Large-scale ab initio total energy calculations on parallel computers, Comput. Phys. ComMun. 72 (1992) 14-28.
5. G.H. Golub, C.F. Van Loan, Matrix Computations (John Hopkins University Press, Baltimore, 1996) pp. 188-192.
6. G.C. Danielson, C. Lanczos, Some improvements in practical Fourier analysis and their application to X-ray scattering from liquids, J. Franklin Inst. 233 (1942) 365-380, 435-452.