2 papers
physics.chem-ph2005
MCSCF-DFT based on an interacting reference system
Shusuke Yamanaka, Koichi Kusakabe, Kazuto Nakata +2
We present the MCSCF version of density functional theory. Two sets of equations, which correspond to the CI and orbital relaxation respectively, are derived. An important feature…
physics.chem-ph2001
Quantum Electrodynamical Density-matrix Functional Theory and Group-theoretical Consideration of its Solution
Tadafumi Ohsaku, Shusuke Yamanaka, Daisuke Yamaki +1
For studying the group theoretical classification of the solutions of the density functional theory in relativistic framework, we propose quantum electrodynamical density-matrix fu…