Energy denominators occurring in perturbation theory can be factorized if one writes them as exponentials using Laplace transformation. This idea is especially useful if weak interaction between large many-electron systems is to be described at many points in the configuration space. The expensive part of the calculation has to be performed only once, while the interaction at various geometrical arrangements is calculated by a simple site-site formula facilitating a linear scaling, [Formula Presented] technique. The interaction between the layers of a 300 Å long double-wall chiral nanotube is computed to illustrate the formalism. The results indicate a slight preference of heterochiral (6, 4)@(11, 9) double-wall nanotube as compared to the homochiral one.
|Number of pages||1|
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - Jan 1 2003|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics