49 citations · 105 across the 7 of their papers we have counts for
7 papers
A self-consistent first-principles calculation scheme for correlated electron systems
Koichi Kusakabe, Naoshi Suzuki, Shusuke Yamanaka +1
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculati…
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…
QED-SCF, MCSCF and Coupled-cluster Methods in Quantum Chemistry
Tadafumi Ohsaku, Kizashi Yamaguchi
We investigate the method to combine the techniques of quantum chemisty with QED. In our theory, we treat the N-electron system and the Dirac sea on an equal footing; we regard bot…
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…
Local magnetic structures induced by inhomogeneities of the lattice in S=1/2 bond-alternating chains and response to time-dependent magnetic field with a random noise
M. Nishino, H. Onishi, K. Yamaguchi +1
We study effect of inhomogeneities of the lattice in the S=1/2 bond-alternating chain by using a quantum Monte Carlo method and an exact diagonalization method. We adopt a defect i…
Local magnetic structure due to inhomogeneity of interaction in S=1/2 antiferromagnetic chain
Masamichi Nishino, Hiroaki Onishi, Pascal Roos +2
We study the magnetic properties of antiferromagnetic Heisenberg chains with inhomogeneity of interaction. Using a quantum Monte Carlo method and an exact diagonalization m…