Fully local orbital-free calculation of electronic structure using pseudopotentials

Author： Pino R.   Markvoort A.J.   van Santen R.A.   Hilbers P.A.J.  

Publisher： Elsevier

ISSN： 0921-4526

Source： Physica B, Vol.339, Iss.2, 2003-12, pp. : 119-129

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Prediction of dislocation nucleation during nanoindentation of Al 3 Mg by the orbital-free density functional theory local quasicontinuum method

By Hayes Robin L.  

Philosophical Magazine, Vol. 86, Iss. 16, 2006-06 ,pp. : 2343-2358

Taylor & Francis Ltd

Access to resources Recommend Favorite

Fisher and Shannon information in orbital‐free density functional theory

By  

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (ELECTRONIC), Vol. 115, Iss. 19, 2015-10 ,pp. : 1392-1395

John Wiley & Sons Inc

Access to resources Recommend Favorite

Orbital-free density functional theory simulations of dislocations in aluminum

By Shin Ilgyou  

Philosophical Magazine, Vol. 89, Iss. 34-36, 2009-12 ,pp. : 3195-3213

Taylor & Francis Ltd

Access to resources Recommend Favorite

ATOMISTIC AND ELECTRONIC STRUCTURE CALCULATION OF DEFECTS AT THE SURFACES OF OXIDES

By WATSON GRAEME  

Radiation Effects and Defects in Solids, Vol. 157, Iss. 6-12, 2002-01 ,pp. : 773-781

Taylor & Francis Ltd

Access to resources Recommend Favorite

An Orbital‐Free Quantum Hypernetted Chain Model Based Perturbation Theory for Equation of State of Hydrogen and Helium in Warm Dense Regime

By  

CONTRIBUTIONS TO PLASMA PHYSICS (ELECTRONIC), Vol. 55, Iss. 8, 2015-09 ,pp. : 606-618

John Wiley & Sons Inc

Access to resources Recommend Favorite