Pyykko, Pekka

Pyykko, Pekka (1991), Finska Kemisksamfundet 1891-1991, Kemia-Kemi 18, 1001-1004. 

This work was supported by the Marsden Fund managed by the Royal Society of New Zealand. Our thanks go to Detlev Figgen, Behnam Assadollahzadeh, Reuben Brown, Jon K. Laerdahl and Pekka Pyykko for helpful discussions and suggestions, and to Wojciech Grochala for letting us know in advance of the solid state results for gold fluoride. We do not claim that our review is comprehensive, and we apologize from possible omissions of any related and important work. A more complete list of references can be found in Pyykko s work [43-45]. 

Large parts of the work described in this chapter have been done in collaboration with Yasuyuki Ishikawa of the University of Puerto Rico, Bemd Hess of Bonn University, and Pekka Pyykko of Helsinki. Support was provided by the Israel Science Foundation, the Ministry of Science, the U.S.-Israel Binational Science Foundation and the German-Israeli Foundation for Scientific Research and Development. 

Pekka Pyykko, Relativistic Effects in Quantum Chemistry. Proceedings of a symposium,... 

Pekka Pyykko, Relativistic Theory of Atoms and Molecules. A Bibliography 1916-1985, in Lecture Notes in Chemistry, Vol. 41, Springer-Verlag, Berlin,... 

Pekka Pyykko, Relativistic Theory of Atoms and Molecules II A Bibliography 1986-... 

Jens Oddershede (Odense, Denmark) Pekka Pyykko (Helsinki, Finland)... 

Mel Levy (New Orleans, Louisiana) Jan Linderberg (Aarhus, Denmark) William H. Miller (Berkeley, California) Keiji Morokuma (Okazaki, Japan) Jens Oddershede (Odense, Denmark) Pekka Pyykko (Helsinki, Finland) Leo Radom (Canberra, Australia) Mark Ratner (Evanston, Illinois) Dennis R. Salahub (Montreal, Canada) Isaiah Shavitt (Columbus, Ohio)... 

This work was supported by the Region Wallonne (RW. 115012). The computational facilities were provided by NIC (University of Liege) and by F.R.F.C. 9.4545.03F (Belgium). E.S.K. thanks F.R.F.C. 2.4562.03F (Belgium) for a fellowship. We gratefully thank Profs. Alfred Karpfen, Pekka Pyykko, and Camille Sandorfy for interesting discussions and Prof. Alejandro Toro-Labbe for his kind invitation to contribute to this book Theoretical Aspects of Chemical Reactivity. ... 

Dedicated to Prof. Pekka Pyykko on the occasion of his 60 birthday)... 

Fig. 1.4. A number of the speakers in the Theory and Apphcations of Computational Chemistry Conference (Gyeongju, Korea) whose pioneering efforts in the field cover all or most of the last 40 years. From left to right Michael L. Klein, Bjorn Roos, Jean-Louis Rivail, Pekka Pyykko, Keiji Morokuma, Rudolph A. Marcus, Enrico Clementi, Nicholas C. Handy, William H. Miller and Peter Pulay.

I didn t think our new series would have credibility without a mention of Relativistic Pseudopotentials, and I have to thank Pekka Pyykko and Hermann Stoll for providing a concise summary of the state of the art. 

The collection presented here is far from being complete. Extended bibliographies including more than 10.000 references on relativistic theory in chemistry and physics have been published by Pekka Pyykko [32-34]. We took much advantage of his careful and patient work when preparing this chapter. Specialized on solid state effects are recent reviews on magnetooptical Kerr spectra [35] and on density functional theory applied to 4f and 5f elements and metallic compounds [24]. 

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and super-heavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms, molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory. Both books are in honour of Pekka Pyykko on his 60 birthday - one of the pioneers in the area of relativistic quantum chemistry. 

Many examples of relativistic effects in chemistry have been published in a number of papers. Pekka Pyykko has published a complete data base of references in a series of books [8-10] which is also available on-line on the Internet [11]. 

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