1 3
Theor Chem Acc (2016) 135:19
DOI 10.1007/s00214-015-1771-y
PREFACE
Preface to the special collection of theoretical chemistry accounts
in honour of Péter R. Surján
Ágnes Szabados
1 · Mihály Kállay
2 · Péter G. Szalay
1
Published online: 31 December 2015
© Springer-Verlag Berlin Heidelberg 2015
(ELTE) of Budapest, Hungary, since 1991. Working as a
professor at ELTE, he pursued his long-term investigations
on the theoretical characterization of the chemical bond by
geminal wave functions as well as on model Hamiltonians
for the description of pi-electron systems. He also extended
his research activity to the fi eld of many-body methods,
Green’s function theory, electronic excited states and linear
scaling methods in quantum chemistry.
The research work of Péter R. Surján is characteristically rich in scientifi c interactions. He has been a successful Ph.D. advisor, raising generations of graduate students.
He has also been actively cooperating both on the national
and international level and was proud to host his distinguished colleagues at his laboratory in Budapest. This collection was initiated by students and colleagues of Péter
R. Surján, on the occasion of his reaching 60. It is not
intended to be a celebration, however. It is rather a tribute
to the colleague and the friend. But mostly, it is a snapshot
of current research in quantum chemistry. The Editors of
this Collection strongly hope that the reader will fi nd these
papers instructive and inspirational. Tolle , lege et procede!
Budapest, 7 November, 2015.
This collection of papers presents a special cross section of
recent advances in Theoretical Chemistry. It gives a fi ngerprint of the scientifi c interest of Péter R. Surján, contributors having either interacted with him and/or working on
topics closely related to his expertise.
A study on optical rotatory strength calculation, published in 1980 in Theoretica Chimica Acta, marks the
beginning of the documented scientifi c career of Péter R.
Surján. His interest has always been shared between fundamental problems in electronic structure theory and theoretical applications in material structure research. Localizability of electron pairs and weak intermolecular interactions
were his fi rst research topics besides characterization of
conjugate polymers by semiempirical methods. During
his visit at the Memorial University of Newfoundland, St.
John’s, Canada, he started lecturing on the theory of second quantization, applied in quantum chemistry. This was
the origin of the book titled “Second Quantized Approach
to Quantum Chemistry”, published by Springer in 1989.
The easy to follow elaboration of a complicated subject
is characteristic not only to this book but also to the lectures he has been giving at the Eötvös Loránd University
Published as part of the special collection of articles “Festschrift
in honour of P. R. Surjan”.
* Ágnes Szabados
szabados@chem.elte.hu
1
Laboratory of Theoretical Chemistry, Institute of Chemistry ,
Eötvös Loránd University , P.O. Box 32 , Budapest 1518 ,
Hungary
2
MTA-BME Lendület Quantum Chemistry Research Group,
Department of Physical Chemistry and Materials Science ,
Budapest University of Technology and Economics , POB 91 ,
Budapest 1521 , Hungary
1
Reprinted from the journal
Theor Chem Acc (2016) 135:19
DOI 10.1007/s00214-015-1771-y
PREFACE
Preface to the special collection of theoretical chemistry accounts
in honour of Péter R. Surján
Ágnes Szabados
1 · Mihály Kállay
2 · Péter G. Szalay
1
Published online: 31 December 2015
© Springer-Verlag Berlin Heidelberg 2015
(ELTE) of Budapest, Hungary, since 1991. Working as a
professor at ELTE, he pursued his long-term investigations
on the theoretical characterization of the chemical bond by
geminal wave functions as well as on model Hamiltonians
for the description of pi-electron systems. He also extended
his research activity to the fi eld of many-body methods,
Green’s function theory, electronic excited states and linear
scaling methods in quantum chemistry.
The research work of Péter R. Surján is characteristically rich in scientifi c interactions. He has been a successful Ph.D. advisor, raising generations of graduate students.
He has also been actively cooperating both on the national
and international level and was proud to host his distinguished colleagues at his laboratory in Budapest. This collection was initiated by students and colleagues of Péter
R. Surján, on the occasion of his reaching 60. It is not
intended to be a celebration, however. It is rather a tribute
to the colleague and the friend. But mostly, it is a snapshot
of current research in quantum chemistry. The Editors of
this Collection strongly hope that the reader will fi nd these
papers instructive and inspirational. Tolle , lege et procede!
Budapest, 7 November, 2015.
This collection of papers presents a special cross section of
recent advances in Theoretical Chemistry. It gives a fi ngerprint of the scientifi c interest of Péter R. Surján, contributors having either interacted with him and/or working on
topics closely related to his expertise.
A study on optical rotatory strength calculation, published in 1980 in Theoretica Chimica Acta, marks the
beginning of the documented scientifi c career of Péter R.
Surján. His interest has always been shared between fundamental problems in electronic structure theory and theoretical applications in material structure research. Localizability of electron pairs and weak intermolecular interactions
were his fi rst research topics besides characterization of
conjugate polymers by semiempirical methods. During
his visit at the Memorial University of Newfoundland, St.
John’s, Canada, he started lecturing on the theory of second quantization, applied in quantum chemistry. This was
the origin of the book titled “Second Quantized Approach
to Quantum Chemistry”, published by Springer in 1989.
The easy to follow elaboration of a complicated subject
is characteristic not only to this book but also to the lectures he has been giving at the Eötvös Loránd University
Published as part of the special collection of articles “Festschrift
in honour of P. R. Surjan”.
* Ágnes Szabados
szabados@chem.elte.hu
1
Laboratory of Theoretical Chemistry, Institute of Chemistry ,
Eötvös Loránd University , P.O. Box 32 , Budapest 1518 ,
Hungary
2
MTA-BME Lendület Quantum Chemistry Research Group,
Department of Physical Chemistry and Materials Science ,
Budapest University of Technology and Economics , POB 91 ,
Budapest 1521 , Hungary
1
Reprinted from the journal