4.6 Article

Ensemble v-representable ab initio density-functional calculation of energy and spin in atoms: A test of exchange-correlation approximations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules

Adi Makmal et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Review Physics, Multidisciplinary

Orbital-dependent density functionals: Theory and applications

Stephan Kummel et al.

REVIEWS OF MODERN PHYSICS (2008)

Article Physics, Multidisciplinary

Degeneracy in density functional theory:: Topology in the v and n spaces -: art. no. 156401

CA Ullrich et al.

PHYSICAL REVIEW LETTERS (2002)

Article Physics, Multidisciplinary

Kohn-Sham theory for ground-state ensembles

CA Ullrich et al.

PHYSICAL REVIEW LETTERS (2001)

Review Materials Science, Multidisciplinary

Atomic-scale computational materials science

J Hafner

ACTA MATERIALIA (2000)

Article Education, Scientific Disciplines

Density functional theory: An introduction

N Argaman et al.

AMERICAN JOURNAL OF PHYSICS (2000)