Previous: Acknowledgments

References

1

The so-called Hellman-Feynman theorem of quantum mechanical forces was originally proven by P. Ehrenfest, Z. Phys. 45, 455 (1927), and later discussed by Hellman (1937) and independently rediscovered by Feynman (1939).

2

W. Kohn and P. Vashishta, General Density Functional Theory, in Theory of the Inhomogeneous Electron Gas, eds. Lundqvist and March (Plenum, 1983).

3

G. B. Bachelet, D. R. Hamann and M. Schlüter, Phys. Rev. B 26, 4199 (1982).

4

R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).

5

I. Stich, R. Car, M. Parrinello and S. Baroni, Phys. Rev. B , 4997 (1989).

6

M. P. Teter, M. C. Payne, and D. C. Allan, Phys. Rev. B 40, 12255 (1989).

7

M. J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).

8

K. D. Brommer, M. Needels, B. E. Larson, and J. D. Joannopoulos, Comput. Phys. 7, 350 (1992).

9

I. Stich, M. C. Payne, R. D. King-Smith, J. S. Lin and L. J. Clarke, Phys. Rev. Lett. 68, 1359 (1992).

10

J. Wiggs and H. Jónsson, Comput. Phys. Commun. 87, 319 (1995), and their refs. 13-17.

11

T. Yamasaki, in these proceedings.

12

Oak Ridge performance measurements available on World Wide Web here.