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About the Corresponding Authors
the Institute of Physics and Information Technologies, FESU (Vladivostok, Russian
Federation) from 2004 till 2008, Deputy Vice-President (Research and Innovation)
of the Far Eastern Federal University (FEFU) (Vladivostok, Russian Federation)
from 2011 to 2017 and Vice-President of the Far Eastern State Technical Fisheries
University (FESTFU) (Vladivostok, Russian Federation) from 2018 till present. His
research interests revolve around X-Ray emission, photoelectron spectroscopy, and
electronic structure of the various chemical compounds and solids. He developed
new approaches to the electronic theory of heterogeneous catalysis.
Chapter 12
Hirokazu Kobayashi received his PhD in Science from Osaka University in 2005.
After postdoctoral research at the Museum of Osaka University, Graduate School
of Engineering Science, Osaka University, and Graduate School of Science, Kyoto
University, he worked at the College of Humanities and Sciences, Nihon University,
as an assistant in 2009–2017. He currently works at Faculty of Arts and Sciences
at Fujiyoshida, Showa University, as a lecturer. His research interests comprise
molecular dynamics of organic radical in nanospace using electron spin resonance,
the design of organic magnets, and thermal analysis of inclusion compounds using
TG-DTA. His personal motto is “Confident decision will bring a great success.”
Chapter 13
N. C. Bacalis is a Physicist at the University of Athens, Greece. He earned his
master’s and PhD at the University of Illinois at Urbana-Champaign, USA, doing
electronic structure of clusters. He started working at the Research Center of
Crete, Greece, doing band structure calculations and electron momentum density
and Compton profiles of elemental solids. Since 1987 he has been working at
the National Hellenic Research Foundation in Theoretical Chemistry, developing
computational methods of electronic structure of atoms using small and concise
configuration-interaction wave functions of equivalent accuracy with large standard computations, of diatomic molecules using separable small numerical wave
functions also of equivalent accuracy with large standard computations, and of
clusters interacting with atoms or small molecules. During the last decade he has
developed a minimization principle for excited state saddle points – because the
standard methods find a minimum, not the correct saddle point (unless huge –
rather incomprehensible – wave functions are used) – using small and concise
configuration-interaction wave function of the saddle point excited state, and
without using orthogonality to approximate wave functions of lower lying states.
About the Corresponding Authors
the Institute of Physics and Information Technologies, FESU (Vladivostok, Russian
Federation) from 2004 till 2008, Deputy Vice-President (Research and Innovation)
of the Far Eastern Federal University (FEFU) (Vladivostok, Russian Federation)
from 2011 to 2017 and Vice-President of the Far Eastern State Technical Fisheries
University (FESTFU) (Vladivostok, Russian Federation) from 2018 till present. His
research interests revolve around X-Ray emission, photoelectron spectroscopy, and
electronic structure of the various chemical compounds and solids. He developed
new approaches to the electronic theory of heterogeneous catalysis.
Chapter 12
Hirokazu Kobayashi received his PhD in Science from Osaka University in 2005.
After postdoctoral research at the Museum of Osaka University, Graduate School
of Engineering Science, Osaka University, and Graduate School of Science, Kyoto
University, he worked at the College of Humanities and Sciences, Nihon University,
as an assistant in 2009–2017. He currently works at Faculty of Arts and Sciences
at Fujiyoshida, Showa University, as a lecturer. His research interests comprise
molecular dynamics of organic radical in nanospace using electron spin resonance,
the design of organic magnets, and thermal analysis of inclusion compounds using
TG-DTA. His personal motto is “Confident decision will bring a great success.”
Chapter 13
N. C. Bacalis is a Physicist at the University of Athens, Greece. He earned his
master’s and PhD at the University of Illinois at Urbana-Champaign, USA, doing
electronic structure of clusters. He started working at the Research Center of
Crete, Greece, doing band structure calculations and electron momentum density
and Compton profiles of elemental solids. Since 1987 he has been working at
the National Hellenic Research Foundation in Theoretical Chemistry, developing
computational methods of electronic structure of atoms using small and concise
configuration-interaction wave functions of equivalent accuracy with large standard computations, of diatomic molecules using separable small numerical wave
functions also of equivalent accuracy with large standard computations, and of
clusters interacting with atoms or small molecules. During the last decade he has
developed a minimization principle for excited state saddle points – because the
standard methods find a minimum, not the correct saddle point (unless huge –
rather incomprehensible – wave functions are used) – using small and concise
configuration-interaction wave function of the saddle point excited state, and
without using orthogonality to approximate wave functions of lower lying states.