Density Functional Approach for Calculating the Diagonal Elements of the Second-Order Reduced Density Matrix: Restrictive Conditions on the Kinetic Energy Functional

作者：Higuchi Masahiko^*; Higuchi Katsuhiko

来源：Journal of the Physical Society of Japan, 2011, 80: SA122.

• second-order reduced density matrix
• pair density
• kinetic energy functional

In order to develop the density functional approach for calculating the diagonal elements of the second-order reduced density matrix, we present the restrictive conditions on the kinetic energy functional. These conditions are useful for devising the approximate form of the kinetic energy functional, which is a key issue for this approach.

• 出版日期2011-7