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So Hirata

Institution
University of Illinois at Urbana-Champaign

Projects

(emsl3410) Relativistic many-electron theories

Lead Institution
University of Illinois at Urbana-Champaign
Principal Investigator
So Hirata
Project type
Capability Research
We propose to develop a series of highly accurate electron correlation theories (configuration interaction theory upto CISDTQ, coupled-cluster theory upto CCSDTQ, many-body perturbation theory upto…

Computational study of polycyclic aromatic hydrocarbons and their derivatives

Lead Institution
University of Illinois at Urbana-Champaign
Principal Investigator
So Hirata
Project type
Exploratory Research
Polycyclic aromatic hydrocarbons (PAHs) constitute a large class of conjugated pi-electron systems that are key molecular species in many branches of chemistry, such as, interstellar, combustion,…

(gc2392)Immobilization of Radionuclides in Oxides

Lead Institution
University of Iceland
Principal Investigator
Hannes Jonsson
Project type
Capability Research
We will carry out a series of theoretical calculations related to the immobilization of radionuclides in oxides, both crystalline and amorphous. The principal questions that will be addressed are: …