Introduction
Relativistic Quantum Chemistry. Markus Reiher and Alexander Wolf ... Relativistic quantum chemistry is the relativistic formulation of quantum me- ...
http://www.wiley-vch.de/books/sample/3527312927_c01.pdf
Contents
Relativistic Quantum Chemistry. Markus Reiher and Alexander Wolf .... Energy Eigenvalue, Quantization and the Principal Quantum. Number 202 ...
http://www.wiley-vch.de/books/sample/3527312927_ftoc.pdf
1
Publikationsliste von Prof. Dr. M. Reiher
8. M. Reiher, B. A. Hess, Relativistic Electronic-Structure Calculations for Atoms and Molecules, in: Modern Methods and Algorithms of Quantum Chemistry ...
http://www.thch.uni-bonn.de/tc/groups/reiher/publist.pdf
Exact decoupling of the Dirac Hamiltonian. I. General theory
by M Reihera - 2004 - Cited by 54
http://www.thch.uni-bonn.de/tc/groups/reiher/papers/JCP_part1.pdf
Relativistic
Electronic-Structure Calculations for Atoms and Molecules
by M Reiher - Cited by 4
http://www.reiher.ethz.ch/publications/juelich_3ed.pdf
<a
href="http://dx.doi.org/10.1063/1.2787000">Nuclear quadrupole
...
by CR Jacob - 2007 - Cited by 3
http://www.reiher.ethz.ch/people/chjacob/Papers_CJ/La-NQM.pdf
Relativistic
effects on the Fukui function
heavy-element chemistry and physics. Wiley, Weinheim. 30. Reiher M, Wolf A (2009) Relativistic quantum chemistry. Wiley,. Weinheim ...
http://www.springerlink.com/index/h12t4vk1jq83l089.pdf
Douglas–Kroll–Hess
Theory: a relativistic electrons-only theory
...
P (ed) Relativistic quantum chemistry, vol I. Theory; Theoretical and computational chemistry. Elsevier, Amsterdam, pp 622–663. 26. Wolf A, Reiher M, ...
http://www.springerlink.com/index/79783231034P2845.pdf
An introduction
to Relativistic Quantum Chemistry
Relativistic Quantum. Chemistry. Lucas Visscher ... Relativistic Quantum Chemistry. ●. Special Relativity ...... Reiher (200X). ● van Wüllen (200X) ...
http://www.chem.vu.nl/~visscher/PDFs/ESQC05.pdf
An
introduction to Relativistic Quantum Chemistry
schemes (Barysz, Reiher, Hirao) that provide nearly exact (but very ..... K. G. Dyall and K. Faegri Jr, Relativistic Quantum Chemistry, ...
http://www.chem.vu.nl/~visscher/PDFs/2007_ESQC.pdf
Studies of new inorganic species using relativistic quantum
chemistry
by M Patzschke - 2006 - Related articles
https://oa.doria.fi/dspace/bitstream/10024/2796/1/studieso.pdf
Computational studies on new chemical species in the gas-phase and
...
by P Zaleski-Ejgierd - Related articles
https://oa.doria.fi/bitstream/handle/10024/46757/computat.pdf?sequence=1
Chemistry
Sort results by: Relevance | Title | Contributor ...
Relativistic Quantum Chemistry : The Fundamental Theory of Molecular Science. Author: Reiher, Markus Wolf, Alexander. Publisher: Wiley-VCH. Released: 2009 ...
http://www.lib.kmitl.ac.th/science/Chemistry.pdf
THE SPECTRUM OF
RELATIVISTIC ATOMS ACCORDING TO BETHE AND SALPETER
...
by H SIEDENTOP - 1998 - Related articles
http://www.ma.utexas.edu/mp_arc/c/06/06-60.pdf
THE
DOUGLAS-KROLL-HESS METHOD: CONVERGENCE AND BLOCK ...
by H SIEDENTOP - Cited by 11
http://www.ma.utexas.edu/mp_arc/c/05/05-143.pdf
POSTERS
Reiher, Markus, Universität Bonn. Some Frontiers in Theoretical Chemistry: From Relativistic Quantum Chemistry to New Concepts for the Calculation of ...
http://www.gdch.de/fowi/gafoc/posters.pdf
ABSTRACTS OF
POSTERS
Some Frontiers in Theoretical Chemistry: From Relativistic Quantum Chemistry to. New Concepts for the Calculation of Molecular Properties. Reiher, M., Bonn/ ...
http://www.gdch.de/fowi/gafoc/p-abstracts.pdf
The effect of the Gaunt interaction on the electric field
gradient
charge number of 112 performed by Reiher and Kind [10] did not cause numerical ...... [22] Aerts P J C 1986 Towards relativistic quantum chemistry Thesis ...
http://www.iop.org/EJ/article/0953-4075/35/2/314/b20214.pdf
X Chen: Recent progress on electron momentum spectroscopy in
...
Compared with the results of high level quantum chemistry calculations, the observed .... [36] Reiher M and Hess B A in Modern Methods and Algorithms of Quantum ... [37] Grant I P Relativistic Quantum Theory of Atoms and Molecules, ...
http://www.iop.org/EJ/article/1742-6596/194/1/012032/jpconf9_194_012032.pdf
Infinite-Order
Regular Approximation by the Metric Perturbation
Metric perturbation theory; Quantum mechanics; Quantum chemistry. The attempts to formulate relativistic quantum mechanics solely in terms ...
http://dlib.lib.cas.cz/2385/1/20050677.pdf
Bernd Artur
Heß Chair of Theoretical Chemistry
Friedrich–Alexander ...
Wolf, Reiher, Hess, in: Relativistic Quantum Chemistry, edited by Peter Schwerdtfeger, Elsevier Science, Amsterdam, (2002),. ISBN 0444 51249 7, pp. 622–663 ...
http://www.teokem.lu.se/esqc/lectures/MGP.pdf
Relativistic and correlated calculations on the ground and
excited ...
by J Paulovic - 2003 - Cited by 7
http://www.teokem.lu.se/~roland/mypapers/JCP.119.798.2003.pdf
Relativistic
electronic-structure calculations for molecules
Relativistic electronic-structure calculations for molecules. Markus Reiher and Bernd Heß published in. Modern Methods and Algorithms of Quantum Chemistry, ...
http://www.fz-juelich.de/nic-series/Volume1/hess.pdf
Enzyme
Kinetics: Principles and Methods by Hans Bisswanger Modern ...
by H Bisswanger - Cited by 56
http://www.chem.harvard.edu/library/new_book_list.pdf
Master programs in Chemistry, Chemical and
Bioengineering ...
markus.reiher@phys.chem.ethz.ch - www.theochem.ethz.ch/research. Research areas: •. Relativistic Quantum Chemistry. •. Theoretical Bio-Inorganic Chemistry ...
http://www.chab.ethz.ch/lehre/dokumente/forschungsthemen/forschungsbereiche_2009.pdf
X-ray
constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess
...
can be easily implemented in the non-relativistic quantum chemistry codes. ..... nian into existing quantum chemistry codes, using the ordinary ... PCE in the expectation value of operator ^X (Wolf & Reiher,. 2006a,b; Barysz & Sadlej, ...
http://journals.iucr.org/a/issues/2010/01/00/tn5010/tn5010.pdf
MOLCAS 7: The
Next Generation
Lide D. R., Ed. Handbook of Chemistry and Physics; CRC Press: Boca. Raton, 2002. 63. Reiher, M.; Wolf, A. Relativistic Quantum Chemistry; Wiley-VCH: ...
http://www.icmol.es/research/MOLCAS09.pdf
Optimized virtual
orbitals for relativistic calculations: an ...
Relativistic quantum chemistry [1] is a rapidly developing ...... [19] A. Wolf, M. Reiher, and B. A. Hess, in Relativistic ...
http://www.informaworld.com/index/748068918.pdf
INVITED
PAPER
essentially perturbative nature of relativistic quantum field theory. ...... [81] REIHER, M., and HESS, B. A., 2000, Modern .Wethods and. Algorithms of Quantum Chemistry (John von Neumann. Institute for Computing) p. 451. ...
http://www.informaworld.com/index/D98BNPFEEW7GK32F.pdf
On the physical meaning of the ZORA Hamiltoniany
by M FILATOV - 2003 - Cited by 1
http://zernike.eldoc.ub.rug.nl/FILES/root/2003/MolPhysFilatov/2003MolPhysFilatov.pdf
Connection between the regular approximation and the normalized
...
by M Filatova - 2005 - Cited by 14
http://zernike.eldoc.ub.rug.nl/FILES/root/2005/JChemPhysFilatov2/2005JChemPhysFilatov2.pdf
Methodological Advances in Relativistic Quantum
Chemistry
Dr. Markus Reiher, examiner. Prof. Dr. Frédéric Merkt, co-examiner ... Since the 1970s relativistic quantum chemistry has gained increased attention ...
http://e-collection.ethbib.ethz.ch/eserv/eth:41906/eth-41906-01.pdf
Icon of Chemistry: The Periodic System of Chemical
Elements in the ...
by SG Wang - 2009 - Cited by 1
http://alpha.chem.umb.edu/chemistry/ch611/documents/Lec1-periodicsystem.pdf
Invited
Lectures
Within relativistic quantum chemistry, Douglas-Kroll-Hess (DKH) theory [1] is a unique approach ... 2004, 121, 2037; ibid 10945; M. Reiher, A. Wolf, Phys. ...
http://rsc.anu.edu.au/watoc08/pdf/ina.pdf
(2n + 1)-rule 451, 458 LS-coupling 142 X-operator techniques 442
...
by C Gaussians - 2009Relativistic Quantum Chemistry. Markus Reiher and Alexander Wolf .... quantum, 227 electromagnetic fields 35 electromagnetic interaction. – energy, 175 ...
http://media.wiley.com/product_data/excerpt/27/35273129/3527312927.pdf
www.wiley.com/go/physicscatalogs
Relativistic Quantum. Chemistry. The Fundamental Theory of. Molecular Science. Markus Reiher, Alexander Wolf, both of. ETH Zuerich, Switzerland ...
http://media.wiley.com/assets/1902/15/0905402Physics.pdf
1
Publications
1The relevant publications of M. Albrecht, U. Birkenheuer and M. Reiher ... A relativistic general-order multi-reference coupled cluster method: ..... Linear-Scaling Methods in Quantum Chemistry, C. Ochsenfeld, J. Kussmann, D. S. Lam- ...
http://www.uni-koeln.de/spp1145/Texte/Publications2.pdf
Modern and
Universal First-principles Methods for Many-electron ...
Relativistic Optimized Potential Method for magnetic solids ...... 2The relevant publications of M. Albrecht, U. Birkenheuer and M. Reiher have been selected by the ...... Using plane waves and Gaussians in molecular quantum chemistry ...
http://www.uni-koeln.de/spp1145/Texte/Report2.pdf
REHE
Conference
3 Feb 2001 ... P46 Markus Reiher, Juergen Hinze, and Dirk Andrae, Bielefeld, Germany, ..... methods of relativistic quantum chemistry to assist in the ...
http://theochem.chem.rug.nl/publications/PDF/ft331.pdf
Quasirelativistic
theory. (Relativistic theory in terms of two
...
by W Kutzelnigg - Related articles
http://fias.uni-frankfurt.de/kollo/kutzelnigg.pdf
The Calculation of NMR Parameters in Transition Metal Complexes
- Related articles
http://www.nsm.buffalo.edu/~jochena/downloads/review-structureandbonding.pdf
23rd
Winter School in Theoretical Chemistry Actinide
Chemistry
''Quantum chemistry methods for heavy element chemistry'' .... [3] A. Wolf, M. Reiher, B. A. Hess, Recent Advances in Relativistic Molecular Theory, ...
http://www.chem.helsinki.fi/Info/WinterSchool/WS2007_book.pdf
ICCMSE 2006 PROGRAM
THE WHOLE PERIODIC TABLE. A theoretical chemistry Symposium in honour of Björn O. Roos. AND. RELATIVISTIC QUANTUM THEORY: COMPUTATIONAL PERSPECTIVES AND ...
http://www.iccmse.org/ICCMSE2006/docs/Preliminary Program of ICCMSE 2006.pdf
Predicting Molecules-More Realism, Please!
by R Hoffmann - 2008 - Cited by 12
http://www.chem.uga.edu/schleyer/publications/articles/ACIE_2008.pdf
New
Books in the Wolbach Library and Information Center March 28,
2009
Relativistic quantum chemistry : the fundamental theory of molecular science / Markus Reiher and. Alexander Wolf. Weinheim : Wiley-VCH, c2009. ...
http://www.cfa.harvard.edu/lib/newbooks/Newbooks20090428.pdf
Scientific Report for 2006
ESI The Erwin Schrödinger International
Markus Reiher: The Quantum Chemistry View on Relativistic Many-Particle Physics. Roch Cassanas: Leading energy of the Brown-Ravenhall model for large atoms ...
http://www.esi.ac.at/Reports/2006.pdf
ELECTRON CORRELATION AND MOLECULAR
relativistic quantum chemistry. 19:35 - 20:00 ..... [5] C. Kind, M. Reiher, J. Neugebauer, SNF Version 2.2.1, University of Erlangen, 1999- ...
http://www.univie.ac.at/qccd/lischka65/book_lischka65_vienna2008.pdf
The
Beginning
transfer, relativistic quantum chemistry, density functional theory, ...... Wolfgang Domcke, Markus Reiher,Vincenzo Barone, Jaime Fernandez Rico, ...
http://www.iaqms.org/QMS.Survey.090210.pdf
Multiplet
calculations of L2,3 x-ray absorption near-edge ...
by H Ikeno - 2009 - Cited by 5
http://www.anorg.chem.uu.nl/PDF/ikeno 2009.pdf
VOL. 63 (2009)
by D DivisionenReiher, M., A Theoretical Challenge: Transi- tion-Metal Compounds, 140 ...... Relativistic quantum chemistry. A Theoretical Challenge: Transition-Metal ...
http://www.chimia.ch/x_data/heft_pdf/502912_111-132_author-index.indd.pdf
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