A Restrictive Condition on Approximate Forms of the Kinetic Energy Functional of the Pair Density Functional Theory

作者：Higuchi M^*; Miyasita M; Higuchi K

来源：International Journal of Quantum Chemistry, 2010, 110(12): 2283-2285.

DOI：10.1002/qua.22620

• pair density
• pair density functional theory
• kinetic energy functional

By using the N-representability condition and the Hohenberg-Kohn theorem on the pair density (PD), we have derived a property of the kinetic energy functional of the PD functional theory. This property can be regarded as a restrictive condition on approximate forms of the kinetic energy functional, and gives a useful guideline to develop them.

• 出版日期2010-10