Two-band second moment model and an interatomic potential for caesium

Details Two-band second moment model and an interatomic potential for caesium Two-band second moment model and an interatomic potential for caesium

2002-12-09

arxiv.org/abs/cond-mat/0212189v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.67.174108

A semi-empirical formalism is presented for deriving interatomic potentials for materials such as caesium or cerium which exhibit volume collapse phase transitions. It is based on the Finnis-Sinclair second moment tight binding approach, but incorporates two independent bands on each atom. The potential is cast in a form suitable for large-scale molecular dynamics, the computational cost being the evaluation of short ranged pair potentials. Parameters for a model potential for caesium are derived and tested.

Affiliated with

Also associated with

No associations

Rating

Two-band second moment model and an interatomic potential for caesium 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 Two-band second moment model and an interatomic potential for caesium, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Two-band second moment model and an interatomic potential for caesium will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-488676