Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations
Quantum Physics
2010-01-19 v2
Abstract
A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper [J. Phys. B, 34 L401 (2001)]. 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 oligimer and the (4,3) carbon nanotube segment.
Keywords
Cite
@article{arxiv.1001.2586,
title = {Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations},
author = {Matt Challacombe},
journal= {arXiv preprint arXiv:1001.2586},
year = {2010}
}
Comments
4 pages, 3 figures