Volume-dependent potential approach for tungsten Academic Article uri icon

abstract

  • A scheme to produce density-of-states-(DOS)-dependent potentials for d-metals on the basis of the local density approximation calculations is suggested. As an example this scheme is applied to construct a DOS-dependent potential for tungsten. The second moment of the tungsten DOS is calculated. We show that the obtained potentials give a good agreement of cohesive properties with the experimental data. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 71: 343–348, 1999

publication date

  • January 3, 1999