Combining quantum and classical density functional theory for ion-electron mixtures

Details Combining quantum and classical density functional theory for ion-electron mixtures Combining quantum and classical density functional theory for ion-electron mixtures

2001-10-18

arxiv.org/abs/cond-mat/0110386v1

J. Non-Cryst. Solids 312-314C, 60 (2002)

Physics

Condensed Matter

Materials Science

to be published in J. Non-Cryst. Solids, LAM 11 special issue

Scientific paper

10.1016/S0022-3093(02)01650-2

We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's quantum hypernetted chain approximation, which we derive within a DFT formulation. We also sketch out how to apply the DFT formulation to inhomogeneous electron-ion mixtures, and use this to study the electron distribution at the liquid-solid interface of Al.

Affiliated with

Also associated with

No associations

Rating

Combining quantum and classical density functional theory for ion-electron mixtures 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 Combining quantum and classical density functional theory for ion-electron mixtures, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Combining quantum and classical density functional theory for ion-electron mixtures will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-212111