4 papers
An Alternative Scheme for Calculating the Unrestricted Hartree-Fock Equation: Application to the Boron and Neon Atoms
Mitiyasu Miyasita, Katsuhiko Higuchi, Masahiko Higuchi
We present an alternative scheme for calculating the unrestricted Hartree-Fock equation. The scheme is based on the variational method utilizing the sophisticated basis functions t…
-representability of the Jastrow wave function pair density of the lowest-order
Katsuhiko Higuchi, Masahiko Higuchi
We have recently proposed a density functional scheme for calculating the ground-state pair density (PD) within the Jastrow wave function PDs of the lowest-order (LO-Jastrow PDs) […
Arbitrary Choice of Basic Variables in Density Functional Theory. II. Illustrative Applications
K. Higuchi, M. Higuchi
Our recent theory (Ref. 1) enables us to choose arbitrary quantities as the basic variables of the density functional theory. In this paper we apply it to several cases. In the cas…
Arbitrary Choice of Basic Variables in Density Functional Theory. I. Formalism
M. Higuchi, K. Higuchi
The Hohenberg-Kohn theorem of the density functional theory is extended by modifying the Levy constrained-search formulation. The new theorem allows us to choose arbitrary physical…