Formally Exact Exchange-Correlation Potential in a Local-Scaling Density Functional Theory

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概要

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• A novel formulation of the formally exact density functional theory is constructed on the basis of a constrained search formulation in a local-scaling density functional theory. In the formulation, a new type infinitesimal local-scaling transformation is proposed. A formally exact expression for the exchange-correlation potential with an exchange-correlation charge density is derived as well as a general method to derive an explicit form of a local-scaling potential. The present expression of the exchange-correlation potential is equivalent to that of Holas and March [Phys. Rev. A 51 (1995) 2040]. The density-dependence of the pair correlation function is also discussed.

• 社団法人日本物理学会の論文
• 2003-08-15

著者

• Kosaka K

  Okayama Univ. Okayama

• Kosaka Keiji

  Graduate School Of Natural Science And Technology Okayama University

関連論文

• A Local-Scaling Time-Dependent Current Density Functional Theory
• Simple Iterative Procedure for Optimized Effective Potential Method in Density Functional Theory and in Current Density Functional Theory(Atomic and Molecular Physics)
• A Novel Formulation of a Local-Scaling Density Functional Theory (Atomic and Molecular Physics)
• Formally Exact Exchange-Correlation Potential in a Local-Scaling Density Functional Theory

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