Abstract
Convergence problems in coupled-cluster iterations are discussed, and anew iteration scheme is proposed. Whereas the Jacobi method inverts onlythe diagonal part of the large matrix of equation coefficients, we invert amatrix which also includes a relatively small number of off-diagonalcoefficients, selected according to the excitation amplitudes undergoingthe largest change in the coupled-cluster iteration. A test case shows thatthe new inversion of partial matrix (IPM) method gives much betterconvergence than the straightforward Jacobi-type scheme or such wellknown convergence aids as the reduced linear equations or directinversion in iterative subspace methods.
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