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physics.comp-ph2020
A Paradigm for Density Functional Theory Using Electron Distribution on the Energy Coordinate
Hideaki Takahashi
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives ri…
cond-mat.stat-mech2020★ 18 cited
Open Quantum Dynamics Theory of Spin Relaxation: Application to SR and Low-Field NMR Spectroscopies
Hideaki Takahashi, Yoshitaka Tanimura
An open quantum system refers to a system, which is in turn coupled to an environment that can describe time irreversible dynamics through which the system evolves toward the therm…