M. Sawall, T. Andersons, H. Abdollahi, S. Khodadadi Karimvand, B. Hemmateenejad, K. Neymeyr
Calculation of lower and upper band boundaries for the feasible solutions of rank-deficient multivariate curve resolution problems.
Submitted 2021.
S. Vali Zade, K. Neymeyr, M. Sawall, H. Abdollahi,
Data point importance: Information ranking in multivariate data.
Submitted 2021.
M. Sawall, K. Neymeyr,
Users' guide to FAC-PACK, Revision 1.2. A software for the computation of
multi-component factorizations and the area of feasible solutions.
December 2014, (1.3 MB PDF file).
M. Zhou, K. Neymeyr,
Users' guide to the AMP Eigensolver (Adaptive Multigrid
Preconditioned Eigensolver), Revision 1.0.
A software for the computation of
the smallest eigenvalues and the associated eigenfunctions of a self-adjoint
and elliptic partial differential operator in 2D domains.
2014, (1.7 MB PDF file).
European Patent EP2796724.
Optimized operation of a variable speed pump in a waste water pumping station.
M. Schwarz, E. Große-Westhoff, A. Fricke, H. Eckstädt, K. Neymeyr.
European Patent EP2944821.
Method for the energy-optimized regulation of the speed of a pump unit.
M. Schwarz, A. Fricke, K. Neymeyr.
A. Olivieri, K. Neymeyr, M. Sawall, R. Tauler
How noise affects the band boundaries in multivariate curve resolution.
Chemom. Intell. Lab. Syst. 220, 104472 (2022).
DOI: 10.1016/j.chemolab.2021.104472
K. Neymeyr, M. Beese, M. Sawall,
On properties of EFA plots.
Accepted for J. Chemom. 2021.
DOI: 10.1002/cem.3381
M. Sawall, C. Fischer, B.J. Elvers, S. Pätsch, K. Neymeyr,
A multi-method chemometric analysis in spectroelectrochemistry: Case study on molybdenum mono-dithiolene complexes.
Anal. Chim. Acta 1185, 339065 (2021).
K. Neymeyr, M. Sawall, A.C. Olivieri,
On the signal contribution function with respect to different norms.
Accepted for J. Chemom. 2021.
DOI: 10.1002/cem.3363
K. Lindenau, N. Jannsen, M. Rippke, H. Al Hamwi, C. Selle, H.-J. Drexler, A. Spannenberg, M. Sawall, K. Neymeyr,
D. Heller, F. Reiß, T. Beweries,
Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes
Accepted for Catalysis Science & Technology 2021.
R. Ludwig, V. Overbeck, H. Schröder, A.-M. Bonsa, K.
Neymeyr,
Insights into the translational and rotational dynamics of cations and anions in Protic Ionic Liquids by means of NMR Fast-Field-Cycling Relaxometry
Phys. Chem. Chem. Phys. 23, 2663-2675 (2021).
S. Mostafapour, H. Schröder, C. Kubis, M. Sawall, B. Hemmateenejad,
K. Neymeyr,
A comparative study of MCR-based kinetic analyses for chemical reaction
systems with rate constant ambiguitues.
Chemom. Intell. Lab. Syst. 210, 104228 (2021).
S. Vali Zade, H. Abdollahi, K. Neymeyr, M. Sawall,
Characterization of Unimodality Constraint as an Effective Chemistry-based
Condition in Resolving of Chemical Processes Data.
Microchem. J. 160, 105605 (2021).
M. Sawall, K. Neymeyr,
On the Area of Feasible Solutions for rank-deficient problems:
I. Introduction of a generalized concept.
J. Chemom. 23, e3316 (2021).
B.J. Elvers, M. Sawall, E. Oberem, K. Heckenberger, R. Ludwig, K.
Neymeyr, C. Schulzke, V. Krewald, C. Fischer,
Towards operando IR- and UV-vis-spectroelectrochemistry: a comprehensive matrix factorisation
study on sensitive and transient molybdenum and tungsten mono-dithiolene complexes.
Chemistry-Methods 1, 22-35 (2021).
DOI: 10.1002/cmtd.202000040
V. Overbeck, B. Golub, H. Schröder, A. Appelhagen, D. Paschek, K.
Neymeyr, R. Ludwig,
Probing relaxation models by means of fast field-cycling relaxometry, NMR spectroscopy and
molecular dynamics simulations:
Detailed insight in the translational and rotational dynamics
of a protic ionic liquid
J. Mol. Liq. 319. 114207 (2020).
H. Schröder, C. Ruckebusch, A. Brächer, M. Sawall, D. Meinhardt, C. Kubis, S.
Mostafapour,
A. Börner, R. Franke, K. Neymeyr,
Reaction rate ambiguities for perturbed spectroscopic data:
Theory and implementation.
Anal. Chim. Acta 1137, 170-180 (2020)..
M. Sawall, M. Rüdt, J. Hubbuch, K. Neymeyr,
On the analysis of chromatographic biopharmaceutical data
by curve resolution techniques in the framework of the area of
feasible solutions.
J. Chromatogr. A 1627, 461420 (2020).
M. Sawall, H. Schröder, D. Meinhardt, K. Neymeyr,
On the ambiguity underlying multivariate curve resolution methods.
In Comprehensive Chemometrics: Chemical and Biochemical Data Analysis;
Brown, S., Tauler, R., Walczak, B., Eds., Elsevier, 2020; pp 199-231.
S.J. Roeters, M. Sawall, C.E. Eskildsen, M. Panman, G. Tordai,
M. Koeman, K. Neymeyr, J. Jansen, A. Smilde, S. Woutersen,
Unraveling VEALYL amyloid formation using advanced vibrational
spectroscopy and microscopy.
Biophysical Journal 119. 87-98 (2020).
H. Lange, H. Schröder, E. Oberem, A. Villinger, J. Rabeah, R. Ludwig,
K. Neymeyr, W. Seidel,
Facile synthesis of a stable side-on phosphinyne complex by redox driven
intramolecular cyclisation
Chemistry - A European Journal 26(50), 11492-11502 (2020).
M. Sawall, S. Vali Zade, C. Kubis, H. Schröder, D. Meinhardt,
A. Brächer, R. Franke, A. Börner, H. Abdollahi, K. Neymeyr,
On the restrictiveness of equality constraints in multivariate curve
resolution.
Chemom. Intell. Lab. Syst. 199, 103942 (2020).
K. Neymeyr, M. Sawall, Z. Rasouli, M. Maeder,
On the avoidance of crossing of singular values in the
evolving factor analysis.
J. Chemom. 34(5), e3217 (2020).
DOI: 10.1002/cem.3217
K. Neymeyr, A. Golshan, K. Engel, R. Tauler, M. Sawall,
Does the signal contribution function attain its extrema
on the boundary of the area of feasible solutions?
Chemom. Intell. Lab. Syst. 196, 103887 (2020).
DOI:10.1016/j.chemolab.2019.103887
E. Steimers, M. Sawall, R. Behrens, D. Meinhardt,
J. Simoneau, K. Münnemann, K. Neymeyr, E. von Harbou,
Application of a new method for simultaneous phase and baseline correction of
NMR signals (SINC).
Magnetic Resonance in Chemistry 199, 103942 (2020).
M. Sawall, C. Kubis, H. Schröder, D. Meinhardt, D. Selent, R. Franke,
A. Brächer, A. Börner, K. Neymeyr,
Multivariate curve resolutions methods and the design of experiments.
J. Chemom. 34(2), e3159 (2020).
S. Vali Zade, M. Sawall, K. Neymeyr, H. Abdollahi,
Introducing the monotonicity constraint as an effective chemistry-based
condition in self-modeling curve resolution.
Chemom. Intell. Lab. Syst. 190, 22-32 (2019).
H. Schröder, C. Ruckebusch, O. Devos, R. Metivier, M. Sawall,
D. Meinhardt, K. Neymeyr,
Analysis of the ambiguity in the determination of quantum yields
from spectral data on a photoinduced isomerization.
Chemom. Intell. Lab. Syst. 189, 88-95 (2019).
https://doi.org/10.1016/j.chemolab.2019.03.013
DOI: 10.1016/j.chemolab.2019.03.013
M. Zhou, K. Neymeyr,
Cluster robust estimates for block gradient-type eigensolvers.
Math. Comp. 88, 2737-2765 (2019).
J. Kohler, H. Daneshmand, A. Lucchi, T. Hofmann, M. Zhou, K. Neymeyr,
Exponential convergence rates for batch normalization: The power of length-direction
decoupling in non-convex optimization.
Proceedings of Machine Learning Research 89, 806--815 (2019).
O. Devos, H. Schröder, M. Sliwa, J.P. Placial, K. Neymeyr, R. Metivier,
C. Ruckebusch,
Photochemical multivariate curve resolution models for the investigation
of photochromic systems under continuous irradiation.
Anal. Chim. Acta 1053, 32-42 (2019).
DOI 10.1016/j.aca.2018.12.004.
M. Sawall, S. Schmode, H. Schröder, R. Ludwig, K. Neymeyr,
A chemometric study in the area of feasible solution
of an acid-base titration of N-methyl-6-oxyquinolone.
RSC Advances 8, 9922-9932 (2018). DOI: 10.1039/c7ra13427d (0.4 MB PDF file).
K. Neymeyr, M. Sawall,
On the set of solutions of the nonnegative matrix factorization problem.
SIAM J. Matrix Anal. Appl. 39, 1049-1069 (2018). (0.9 MB PDF file).
M. Sawall, E. von Harbou, A. Moog, R. Behrens, H. Schröder, J. Simoneau, E. Steimers,
K. Neymeyr,
Multi-objective optimization for an automated and simultaneous phase and baseline correction
of NMR spectral data.
Journal of Magnetic Resonance 289, 132-141 (2018). (0.3 MB PDF file).
M. Sawall, A. Moog, C. Kubis, H. Schröder, D. Selent, R. Franke, A. Brächer, A. Börner,
K. Neymeyr,
Simultaneous construction of dual Borgen plots. II: Algorithmic enhancement for applications
to noisy spectral data.
J. Chemom. 32, e3012 (2018). DOI: 10.1002/cem.3012 (1.4 MB PDF file).
M. Zhou, K. Neymeyr,
Sharp Ritz value estimates for restarted Krylov subspace iterations.
Electronic Transactions on Numerical Analysis (ETNA) 46, 424--446
(2017). (0.84 MB PDF file).
M. Sawall, A. Jürß, H. Schröder, K. Neymeyr,
Simultaneous construction of dual Borgen plots. I: The case of noise-free data.
J. Chemom. 31, e2954 (2017), DOI: 10.1002/cem.2954. (0.4 MB PDF file).
H. Schröder, M. Sawall, C. Kubis, A. Jürß,
D. Selent, A. Brächer, A. Börner, R. Franke, K. Neymeyr,
Comparative multivariate curve resolution study in the area of feasible solutions
Chemom. Intell. Lab. Syst. 163, 55-63 (2017). (0.64 MB PDF file).
DOI: 10.1016/j.chemolab.2017.02.002
M. Sawall, K. Neymeyr,
A ray casting method for the computation of the area of feasible solutions for multicomponent
systems: Theory, applications and FACPACK-implementation
Anal. Chim. Acta 960, 40-52 (2017). (0.7MB PDF file)
DOI: 10.1016/j.aca.2016.11.069
M.E. Argentati, A.V. Knyazev, K. Neymeyr, E.E. Ovtchinnikov, M. Zhou,
Convergence theory for preconditioned eigenvalue solvers in a nutshell
Foundations of Computational Mathematics 17, 713-727 (2017). (190 kB PDF file).
Paper in arXiv library.
DOI: 10.1007/s10208-015-9297-1
A. Jürß, M. Sawall, K. Neymeyr,
On Generalized Borgen Plots. II: The line-moving algorithm and its numerical implementation.
J. Chemom. 30, 636-650 (2016). (0.18 MB PDF file)
DOI: 10.1002/cem.2787
K. Neymeyr, M. Zhou,
Convergence analysis of restarted Krylov subspace eigensolvers.
SIAM J. Matrix Anal. Appl. 37, 955-975 (2016). (0.8 MB PDF file).
DOI: 10.1137/16M1056481
H. Schröder, M. Sawall, C. Kubis, D. Selent, D. Hess,
R. Franke, A. Börner, K. Neymeyr,
On the ambiguity of the reaction rate constants
in multivariate curve resolution
for first-order reaction systems.
Anal. Chim. Acta 927, 21-34 (2016). (581 kB PDF file)
DOI: 10.1016/j.aca.2016.04.009
N. Rahimdoust, M. Sawall, K. Neymeyr, H. Abdollahi,
Investigating the effect of flexible constraints on the accuracy of self-modeling
curve resolution methods in the presence of perturbations
J. Chemom. 30, 252-267 (2016).
DOI: 10.1002/cem.2787
A. Golshan, H. Abdollahi, S. Beyramysoltan, M. Maeder, K. Neymeyr, R. Rajkó, M. Sawall, R. Tauler,
A review of recent methods for the determination of ranges of feasible solutions
from soft modeling analyses of multivariate data.
Anal. Chim. Acta 911, 1-13 (2016).
DOI: 10.1016/j.aca.2016.01.011
M. Sawall, A. Jürß, H. Schröder,
K. Neymeyr,
On the analysis and computation
of the area of feasible solutions for two-, three- and four-component
systems.
Book contribution in volume 30 of Data Handling in Science and Technology,
"Resolving Spectral Mixtures",
Chapter 5, pages 135-184,
Ed. Cyril Ruckebusch, Elsevier 2016. (9.7 MB PDF file).
M. Sawall, C. Kubis, E. Barsch, D. Selent, A. Börner, K. Neymeyr,
Peak group analysis for the extraction of pure component spectra.
J. Iran. Chem. Soc. 13(2), 191-205 (2016). (695 kB PDF file).
DOI: 10.1007/s13738-015-0727-4
K. Neymeyr, M. Sawall,
On an SVD-free approach to the complementarity and coupling theory:
A note on the elimination of unknowns in sums of dyadic products.
J. Chemom. 30, 30-36 (2016). (115 kB PDF file).
DOI: 10.1002/cem.2765
M. Sawall, N. Rahimdoust, C. Kubis, H. Schröder, D. Selent,
D. Hess, H. Abdollahi, R. Franke, A. Börner,
K. Neymeyr,
Soft constraints for reducing the intrinsic rotational ambiguity
of the area of feasible solutions.
Chemom. Intell. Lab. Syst. 149, 140-150 (2015). (4.7MB PDF file).
DOI: 10.1016/j.chemolab.2015.10.010
B. Hemmateenejad, Z. Shojaeifard, M. Shamsipur, K. Neymeyr,
M. Sawall, A. Mohajeri,
Solute-induced perturbation of methanol-water association.
RSC Advances 5, 71102 - 71108 (2015)
DOI: 10.1039/C5RA11432B
M. Sawall, C. Kubis, A. Börner, D. Selent, K. Neymeyr,
A multiresolution approach for the convergence acceleration
of multivariate curve resolution methods.
Anal. Chim. Acta 891, 101-112 (2015). (974 kB PDF file).
The following paper was awarded by the Kowalski prize 2016 for the
"best theoretical paper" in 2015/2016 in the Journal of Chemometrics:
A. Jürß, M. Sawall, K. Neymeyr,
On Generalized Borgen Plots. I: From convex
to affine combinations and applications to spectral data
J. Chemom. 29, 420-433 (2015). (431 kB PDF file).
DOI: 10.1002/cem.2721
M. Sawall, C. Kubis, R. Franke, D. Hess, D. Selent, A. Börner, K. Neymeyr,
How to apply the complementarity and coupling theorems in MCR methods:
Practical implementation and application to the
rhodium-catalyzed hydroformylation.
ACS Catal. 4, 2836-2843 (2014), Special issue on LIKAT. (635 kB PDF file).
DOI: 10.1021/cs5003614
C. Kubis, M. Sawall, A. Block, K. Neymeyr, R. Ludwig, A. Börner, D. Selent,
An operando FTIR spectroscopic and kinetic study of carbon monoxide
pressure influence on rhodium catalyzed olefin hydroformylation.
Chem. Eur. J. 37, 11921-11931 (2014).
DOI: 10.1002/chem.201402515
M. Sawall, K. Neymeyr,
How to compute the Area of Feasible Solutions, A practical case study and
users' guide to FAC-PACK.
Book contribution in "Current Applications of Chemometrics" edited by
M. Khanmohammadi, Chapter 6, pages 97-134,
Nova Science Publishers 2014, ISBN: 978-1-63463-117-4.
(1.2 MB PDF file).
C. Kubis, W. Bauman, E. Barsch, D. Selent, M. Sawall, R. Ludwig, K. Neymeyr, D. Hess, R. Franke,
Börner,
Investigation into the equilibrium of iridium catalysts for the hydroformylation of olefins
by combining in situ high-pressure FTIR- and NMR-spectroscopy.
ACS Catal. 4, 2097-2108 (2014).
DOI: 10.1021/cs500368z
M. Sawall, K. Neymeyr,
On the area of feasible solutions and its reduction by the complementarity theorem.
Anal. Chim. Acta 828, 17-26 (2014). (894 kB PDF file).
Elsevier online library DOI 10.1016/j.aca2014.04.026.
A. Knubbe, A. Fricke, H. Eckstädt, K. Neymeyr, M. Schwarz, J. Tränckner,
Energieeffizienter Betrieb von Abwasserfördersystemen.
gwf-Wasser/Abwasser 155, 640-646 (2014).
K. Neymeyr, M. Zhou,
The block preconditioned steepest descent iteration for elliptic
operator eigenvalue problems.
Electron. Trans. Numer. Anal. 41, 93-108 (2014). (490 kB PDF file).
M. Sawall, K. Neymeyr,
A fast polygon inflation algorithm to compute the area of feasible solutions
for three component systems.
II: Theoretical foundation, inverse polygon inflation and
FAC-PACK implementation.
J. Chemom. 28, 633-644 (2014). (168 kB PDF file).
Wiley online library DOI: 10.1002/cem.2612
K. Neymeyr, M. Zhou,
Iterative minimization of the Rayleigh quotient
by block steepest descent iterations.
Numer. Linear Algebra Appl. 21, 604-617 (2014). (438 kB PDF file).
Wiley online library DOI: 10.1002/nla.1915
M. Sawall, C. Kubis, D. Selent, A. Börner, K. Neymeyr,
A fast polygon inflation algorithm to compute the area of feasible solutions for three-component
systems. I: Concepts and applications.
J. Chemom. 27 (2013), 106-116.
(2.6 MB PDF file)
K. Neymeyr,
A geometric convergence theory for the preconditioned
steepest descent iteration.
SIAM J. Numer. Anal. 50 (2012), 3188-3207.
(241 kB PDF file)
M. Sawall, C. Fischer, D. Heller, K. Neymeyr,
Reduction of the rotational ambiguity of curve resolution techniques under
partial knowledge of the factors. Complementarity and coupling theorems.
J. Chemom. 26 (2012), 526-537.
(582 kB PDF file)
M. Sawall, A. Börner, C. Kubis, D. Selent, R. Ludwig, K. Neymeyr,
Model-free multivariate curve resolution combined with model-based kinetics:
algorithm and applications.
J. Chemom. 26 (2012), 538-548.
(1.6 MB PDF file)
C. Kubis, D. Selent, M. Sawall, R. Ludwig, K. Neymeyr,
W. Baumann, R. Franke, A. Börner,
Exploring between the extremes: Conversion-dependent kinetics
of Phosphite-modified hydroformylation catalysis.
Chem. Eur. J. 18 (2012), 8780-8794.
C. Fischer, S. Schulz, H.-J. Drexler, C. Selle, M. Lotz, M.Sawall,
K. Neymeyr, D. Heller,
The influence of substituents in diphosphine ligands on the
hydrogenation activity and selectivity of the corresponding
rhodium complexes as exemplified by ButiPhane®.
ChemCatChem 4 (2012), 81-88.
K. Neymeyr, E. Ovtchinnikov, M. Zhou,
Convergence analysis of gradient iterations for the symmetric eigenvalue
problem.
SIAM J. Matrix Anal. Appl. 32 (2011), 443--456.
(185 kB PDF file)
C. Kubis, R. Ludwig, M. Sawall, K. Neymeyr, A. Börner, K.-D. Wiese,
D. Hess, R. Franke, D. Selent,
A comparative in situ HP-FTIR spectroscopic study of bi- and monodentate
Phosphite-modified hydroformylation.
ChemCatChem 2 (2010), 287-295.
Inside cover to this article: ChemCatChem 2 (2010), 230.
K. Neymeyr, M. Sawall and D. Hess,
Pure component spectral recovery and constrained matrix factorizations:
Concepts and applications.
J. Chemom. 24 (2010), 67--74.
(276 kB PDF file)
A. Knyazev and K. Neymeyr,
Gradient flow approach to geometric convergence analysis
of preconditioned eigensolvers.
SIAM J. Matrix Anal. Appl. 31 (2009), 621--628.
(279 kB PDF file)
K. Neymeyr,
On preconditioned eigensolvers and Invert-Lanczos processes.
Linear Algebra Appl. 430 (2009), 1039--1056.
(245 kB PDF file)
K. Neymeyr,
A geometric theory for preconditioned inverse iteration:
IV: On the fastest convergence cases.
Linear Algebra Appl. 415 (2006), 114--139.
(457 kB PDF file)
K. Neymeyr,
A note on inverse iteration.
Numer. Linear Algebra Appl. 12 (2005), 1-8.
(156 kB PDF file)
A.V. Knyazev and K. Neymeyr,
Efficient solution of symmetric eigenvalue problems using multigrid
preconditioners in the locally optimal block preconditioned
gradient method.
Electron. Trans. Numer. Anal. 15 (2003), 38--55.
(222 kB PDF file)
A.V. Knyazev and K. Neymeyr,
A geometric theory for preconditioned inverse iteration. III: A short and
sharp convergence estimate for generalized eigenvalue problems.
Linear Algebra Appl. 358 (2003), 95--114.
(275 kB PDF file/Preprint)
K. Neymeyr,
A geometric theory for preconditioned inverse iteration
applied to a subspace.
Math. Comp. 71 (2002), 197-216.
(268 kB PDF file/Preprint)
R. Hiptmair and K. Neymeyr,
Multilevel Method for Mixed Eigenproblems.
SIAM J. Sci. Comp. 23(6) (2002), 2141-2164.
(564 kB PDF file/Preprint)
K. Neymeyr,
A posteriori error estimation for elliptic eigenproblems.
Numer. Linear Algebra Appl. 9 (2002), 263-279.
(453 kB PDF file/Preprint)
K. Neymeyr,
A geometric theory for preconditioned inverse iteration, I:Extrema of
the Rayleigh quotient.
Linear Algebra Appl. 332 (2001), 61-85.
(220 kB PDF file/Preprint)
K. Neymeyr,
A geometric theory for preconditioned inverse iteration,
II:Convergence estimates.
Linear Algebra Appl. 332 (2001), 87-104.
(164 kB PDF file/Preprint)
K. Neymeyr and F.F. Seelig,
Neglect of Diatomic Differential Overlap in non-empirical quantum
chemical orbital theories.
I. On the justification of the Neglect of Diatomic
Differential Overlap approximation.
Int. J. Quantum Chem. 53 (1995), 515-518.
(2.7 MB PDF all NDDO papers)
K. Neymeyr and F.F. Seelig,
Neglect of Diatomic Differential Overlap in non-empirical quantum
chemical orbital theories.
II. A polynomial expansion for
in terms of Legendre and Chebyshev polynomials.
Int. J. Quantum Chem. 53 (1995), 519-535.
(2.7 MB PDF all NDDO papers)
K. Neymeyr and K. Engel,
Neglect of Diatomic Differential Overlap in non-empirical quantum
chemical orbital theories.
III. On the spectrum of the overlap matrix for
diatomic molecules over locally orthogonalized basis functions.
Int. J. Quantum Chem. 53 (1995), 537-540.
(2.7 MB PDF all NDDO papers)
K. Neymeyr,
Neglect of Diatomic Differential Overlap in non-empirical quantum
chemical orbital theories.
IV. An examination of the justification of the
Neglect of Diatomic Differential Overlap (NDDO) approximation.
Int. J. Quantum Chem. 53 (1995), 541-552.
(2.7 MB PDF all NDDO papers)
K. Neymeyr,
Neglect of Diatomic Differential Overlap in non-empirical quantum
chemical orbital theories.
V. A calculus of error concerning the
justification of the Neglect of Diatomic Differential Overlap (NDDO)
approximation.
Int. J. Quantum Chem. 53 (1995), 553-568.
(2.7 MB PDF all NDDO papers)
W. Koch, K. Neymeyr, M. Pernpointner, B. Schaper, and K. Strecker,
Simplified non-empirical unrestricted Hartree-Fock approximation
(SUHF) for the calculation of electronic ground state properties
of molecules
with closed and open valence shells. II. Diatomic molecules.
Z. Naturforsch. 48a (1993), 834-839.
K. Neymeyr and F.F. Seelig,
Determination of unstable limit cycles in chaotic systems by the
method of unrestricted harmonic balance.
Z. Naturforsch. 46a (1991), 499-502.
K. Neymeyr,
A Hierarchy of Preconditioned Eigensolvers for Elliptic Differential Operators,
Mathematisches Institut, Universität Tübingen, September 2001,
(2.0 MB PDF file)
K. Neymeyr,
Solving mesh eigenproblems with multigrid efficiency.
in Numerical Methods for Scientific Computing. Variational
problems and applications,
Y. Kuznetsov, P. Neittaanmäki,
O. Pironneau (eds.), CIMNE, Barcelona, 2003.
(86 kB PDF file/Preprint)