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Inicio  /  Computation  /  Vol: 2 Par: 1 (2014)  /  Artículo
ARTÍCULO
TITULO

Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations

Matt Challacombe    

Resumen

A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B). Dual channel, quasi-independent non-linear optimization of these quotients is found to yield convergence rates approaching those of the best case (single channel) Tamm-Dancoff approximation. This formulation is variational with respect to matrix truncation, admitting linear scaling solution of the matrix-eigenvalue problem, which is demonstrated for bulk excitons in the polyphenylene vinylene oligomer and the (4,3) carbon nanotube segment.

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