The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions

Details The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions

2002-01-02

arxiv.org/abs/cond-mat/0201015v2

Physics

Condensed Matter

Materials Science

17 pages 2 multipart figures

Scientific paper

A brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector augmented wave method is an all-electron method for efficient ab-initio molecular dynamics simulations with the full wave functions. It extends and combines the traditions of existing augmented wave methods and the pseudopotential approach. Without sacrificing efficiency, the PAW method avoids transferability problems of the pseudopotential approach and it has been valuable to predict properties that depend on the full wave functions.

Affiliated with

Also associated with

No associations

Rating

The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions 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 The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-564908