Long-range correlation energies calculations for $π$ electronic systems

Details Long-range correlation energies calculations for $π$ electronic systems Long-range correlation energies calculations for $π$ electronic systems

2006-05-26

arxiv.org/abs/cond-mat/0605652v2

Eur.Phys.J.B 54,11-17(2006)

Physics

Condensed Matter

Other Condensed Matter

Preprint, Latex file, 9 pages, 1 Postscript figure

Scientific paper

10.1140/epjb/e2006-00430-4

A simple formula for correlation energy $E_c$ of the $\pi$ electron systems is obtained under an approximation for the electron-electron interactions. This formula is related directly to square of the bond order matrix and the nearest-neighbor Coulomb electron-electron interaction. The influence of the correlation energy on the band energy gap is discussed. The values of the correlation energy for polyacetylene (PA) are calculated and can be compared with those for PA obtained by other methods, including $ab$ $initio$ method.

Affiliated with

Also associated with

No associations

Rating

Long-range correlation energies calculations for $π$ electronic systems does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Long-range correlation energies calculations for $π$ electronic systems, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Long-range correlation energies calculations for $π$ electronic systems will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-238277