Functional <i>N</i>-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories

• 作者: Cesar Costa Eduardo V. Lude?a F. Javier Torres
• 来源期刊: 现代物理(英文)
• 学科: 数学
• 关键词: N-Representability DFT D1-Matrix THEORY D2-Matrix THEORY
• 年，卷（期）: 2013,（3）
• 页码范围: 391-400
• 页数: 10页
• 分类号: O1

摘要

The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on functionals advanced in one-matrix theory such as natural orbital functional theory (NOFT), and on functionals depending on the one-electron density such as those of density functional theory (DFT). We review some aspects of the applications of these N-representability conditions in these theories and present some conclusions.