Analytic Approximation to Localised ab initio Pseudopotential and Some Applications

• Authors: A. Sarkar , D. Sen
• Languages of publication: EN

Abstracts

EN

The localised version of the density functional based norm-conserving pseudopotential has already been applied to various metallic solids and aggregate state properties with some success. Applications to the study of liquid phonons and to the surface dynamics are specially discussed in the present paper. An analytic fit to the pseudopotential is obtained and further application to molecular dynamics is indicated.

Keywords

EN

63.10.+a; 71.10.-w

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1997
• Volume: 91
• Issue: 6
• Pages: 1081-1089

Dates

published

1997-06

received

1996-09-16

(unknown)

1997-03-18

Contributors

author

A. Sarkar

• Condensed Matter Physics Research Centre, Department of Physics, Jadavpur University, Jadavpur, Calcutta-700032, India

author

D. Sen

• Condensed Matter Physics Research Centre, Department of Physics, Jadavpur University, Jadavpur, Calcutta-700032, India