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Electron repulsion integrals rapid calculation

R. Taylor Theor. Chem. Acc., 97,10 (1997). Methods for the Rapid Evaluation of Electron Repulsion Integrals in Large-scale LCGO Calculations. [Pg.75]

The complexity and numbers of repulsion integrals in any electronic structure calculation places them at the centre of any consideration of efficiency in an implementation. There are now many techniques available for the rapid evaluation of these integrals no-one would use the eqn (7.1) as it stands for the routine calculation of repulsion integrals. Broadly speaking, there arc two types of technique which are in routine use ... [Pg.128]

See other pages where Electron repulsion integrals rapid calculation is mentioned: [Pg.247]    [Pg.1177]    [Pg.283]    [Pg.53]    [Pg.386]    [Pg.236]    [Pg.254]   
See also in sourсe #XX -- [ Pg.507 ]



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