Dr. Dmitri Fedorov

Research Institute for Computational Sciences (RICS)
National Institute of Advanced Industrial Science and Technology (AIST)
Central 2, Umezono 1-1-1
Tsukuba 305-8568

Dmitri graduated in September 1999, as you can clearly see below, after working very hard on the spin-orbit coupling code in GAMESS. His code permits use of the full Breit-Pauli operator, or approximations thereto, for general active spaces and exploits various symmetries to avoid zero matrix element computation. His postdoctoral work with Prof. Kimihiko Hirao and Prof. Takhito Nakajima at the University of Tokyo led to the implementation of the 3rd order Douglas-Kroll transformation for inclusion of scalar relativistic effects, and extending the spin-orbit coupling code into the MCQDPT multi-reference perturbation theory. Since 2001, Dmitri is employed at AIST in Tsukuba, where he has included the Fragment Molecular Orbital approach for very large molecules into the GAMESS program.

Home Page:http://staff.aist.go.jp/d.g.fedorov/.

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