The next newsletter, No 101 - the October 2010 issue, will appear at the end of
September or beginning of October 2010.
The deadline for contributions to the next Psi-k Newsletter, No 101, is
September
28, 2010.
To include the abstracts of your papers in the newsletter, please submit one
page only, as a Latex file, sent to 
,
giving title etc. and abstract of the paper, where submitted to, approximate
date, and how a full copy of the preprint may be obtained either electronically
or on paper.
The templates for all contributions to the newsletters can be found in Newsletter 67 or
downloaded here.
| Past Issues |
Highlights |
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2010
|
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|
Newsletter
99 - June 2010 - (pdf - 0.6 MB) |
Highlight
99 - A Fractional View of the Exchange-Correlation Functional and
Derivative Discontinuity in Density Functional Theory, Aron J. Cohen (Cambridge,
U. K.), Paula Mori-Sanchez (Madrid, Spain), Weitao
Yang (Duke,
USA), |
|---|
|
Newsletter
98 - April 2010 - (pdf - 1.24 MB) |
Highlight
98 - Electronic structure calculations with GPAW: A real space
implementation of the projector augmented-wave method - (pdf - 1.09 MB),
J. Enkovaara (Espoo, Finland), C. Rostgaard, J.J. Mortensen,
J. Chen, M. Dulak (CAM Lyngby, Denmark), L. Ferrighi (Aarhus,
Denmark), J. Gavnholt (CINF Lyngby, Denmark), C.
Glinsvad (CAM Lyngby, Denmark), V. Haikola (Aalto, Finland),
H.A. Hansen (CAM Lyngby, Denmark), H.H. Kristoffersen
(Aarhus, Denmark), M. Kuisma (Tampere, Finland),
A.H. Larsen (CAM Lyngby, Denmark), L. Lehtovaara (Aalto,
Finland), M. Ljungberg (Stockholm, Sweden), O.
Lopez-Acevedo (Jyväskylä, Finland), P.G. Moses (CAM
Lyngby, Denmark), J. Ojanen (Tampere, Finland),
T. Olsen (CINF Lyngby, Denmark), V. Petzold (CAM Lyngby,
Denmark), N.A. Romero (Argonne, USA), J. Stausholm (Aarhus,
Denmark), M. Strange, G.A. Tritsaris, M. Vanin (CAM Lyngby, Denmark),
M. Walter (Freiburg, Germany), B. Hammer (Aarhus, Denmark),
H. Häkkinen (Jyväskylä, Finland), G.K.H. Madsen (Bochum,
Germany), R.M. Nieminen (Aalto, Finland), J. Nørskov
(CAM Lyngby, Denmark), M. Puska (Aalto, Finland),
T. Rantala (Tampere, Finland), J. Schiøtz (CINF Lyngby,
Denmark), K.S. Thygesen, K.W. Jacobsen (CAM Lyngby, Denmark) |
|---|
|
Newsletter
97 - February 2010 - (pdf - 2.8 MB) |
Highlight
97 - Recent Developments in KKR Theory - (pdf - 2.5 MB), H. Ebert, S.
Bornemann, J. Braun, D. Ködderitzsch, S. Lowitzer, S. Mankovskyy, J.
Minár, M. Offenberger, S. Polesya (Munich, Germany), V.
Popescu (Golden, Colorado, USA) |
|---|
2009 |
| Newsletter
96 - December 2009 - (pdf - 0.6 MB) |
Highlight
96 - Electrical Polarization and Orbital Magnetization: The Modern
Theories - (pdf - 0.3 MB), Raffaele Resta (Trieste, Italy)
|
| Newsletter
95 - October 2009 - (pdf - 2.05 MB) |
Highlight
95 - Electronic Phenomena at Complex Oxide Interfaces: Insights from
First Principles - (pdf - 1.71 MB), Rossitza Pentcheva (Munich,Germany)
and Warren E. Pickett (Davis,USA)
|
| Newsletter
94 - August 2009 - (pdf - 0.65 MB) |
Highlight
94 - Ab initio methods for biological systems: state of the art and
perspectives - (pdf - 0.42 MB), L. Guidoni (L'Aquila,Italy),
C. Rovira (Barcelona,Spain), M. Sulpizi (Cambridge,U.
K.)
|
| Newsletter
93 - June 2009 - (pdf - 0.65 MB) |
Highlight
93 - Ab initio study of Magnetoelectricity in Composite Multiferroics - (pdf - 0.42 MB),
M. Fechner (MPI Halle,Germany), I. Maznichenko (University of Halle,Germany),
S. Ostanin, A. Ernst, J. Henk (MPI Halle,Germany) and I. Mertig (MPI Halle and University of Halle,Germany)
|
| Newsletter
92 - April 2009 - (pdf - 1.51 MB) |
Highlight
92 - First Principles Studies
of Multiferroic Materials - (pdf - 1.33 MB),
Silvia Picozzi (L'Aquila, Italy),
and Claude Ederer (Dublin, Ireland)
|
| Newsletter
91 - February 2009 - (pdf - 0.79 MB) |
Highlight
91 - Using Chebyshev-Filtered Subspace Iteration Methods to Solve the
Kohn-Sham Problem - (pdf - 0.47 MB), James R. Chelikowsky (Austin, U.S.A.),
and Yousef Saad (Minneapolis, U.S.A.)
|
2008 |
|
|
| Newsletter
90 - December 2008 - (pdf - 1.1 MB) |
Highlight
90 - Harnessing the power of modern package management tools for a large
Fortran-90-based project: the mutation of ABINIT - (pdf - 0.34 MB), Y.
Pouillon (Louvain-la-Neuve,
Belgium and San Sebastian, Spain), X. Gonze (Louvain-la-Neuve,
Belgium)
|
| Newsletter
89 - October 2008 - (pdf - 8.1 MB) |
Highlight
89 - Simulating functional magnetic materials on supercomputers - (pdf -
7.9 MB), Markus E. Gruner (Duisburg, Germany), Peter Entel (Duisburg,
Germany)
|
| Newsletter
88 - August 2008 - (pdf - 0.5 MB) |
Highlight
88 - Optical Properties of Correlated Materials - or Why Intelligent
Windows may look Dirty - (pdf - 0.28 MB), Jan M. Tomczak (Tsukuba, Japan),
Silke Biermann (Palaiseau, France)
|
| Newsletter
87 - June 2008 - (pdf - 1.3 MB) |
Highlight
87 - Electronic Excitations in Nanostructures: An Empirical Pseudopotential
based Approach - (pdf - 0.9 MB), G. Bester (Stuttgart, Germany)
|
| Newsletter
86 - April 2008 - (pdf -0.69 MB) |
Highlight
86 - Modeling semiconductor QDs - (pdf -0.5 MB), N. Skoulidis and H. M.
Polatoglou (Thessaloniki, Greece)
|
| Newsletter
85 - February 2008 - (pdf -0.64 MB) |
Highlight
85 - Local Self-Interaction Correction of a Scattering Resonance: The Atom
in Jellium Model - (pdf -0.25MB), James F. Annett (Bristol, UK), Andrew
I. Duff (Bristol, UK, and Delft, The Netherlands), Balazs L. Gyorffy
(Bristol, UK), Walter M. Temmerman (Daresbury, UK), Zdzislawa Szotek
(Daresbury, UK), and Martin Lüders (Daresbury, UK)
|
2007 |
| Newsletter
84 - December 2007 - (pdf -3.1 MB) |
Highlight
84 - Evolutionary crystal structure prediction: overview of the USPEX method
and some of its applications - (pdf -2.2MB), Artem R. Oganov (Zurich,
Switzerland and Moscow, Russia), Yanming Ma (Zurich,
Switzerland and Jilin, P. R. China), Colin W. Glass (Zurich,
Switzerland), Mario Valle (Lugano, Switzerland)
|
| Newsletter
83 - October 2007 - (pdf -0.6 MB) |
Highlight
83 - An extensible and portable file format for electronic structure and
crystallographic data - (pdf -0.07MB), X. Gonze (Louvain-la-Neuve,
Belgium), C.-O. Almbladh (Lund, Sweden), A. Cucca (Palaiseau,
France), D. Caliste (Grenoble, France), C. Freysoldt (Berlin,
Germany), M. Marques (Berlin, Germany and Coimbra,
Portugal), V. Olevano (Palaiseau, France and Grenoble,
France), Y. Pouillon (Louvain-la-Neuve, Belgium and Donostia-San
Sebastian, Spain), M. J. Verstraete (York, U. K.)
|
| Newsletter
82 - August 2007 - (pdf -1.0 MB) |
Highlight 82 - Relativistic Effects and Disordered Local Moments in
Magnets - (pdf -0.38MB), J.B. Staunton (University of Warwick, UK)
|
| Newsletter
81 - June 2007 - (pdf -0.85 MB) |
Linear-scaling DFT calculations with the CONQUEST code
- (pdf -0.66 MB), D. R. Bowler (London,
UK), A. S. Torralba (London, UK), T. Miyazaki
(Tsukuba, Japan), T. Ohno (Tsukuba, Japan) and M. J. Gillan (London,
UK)
|
| Newsletter
80 - April 2007 - (pdf -2.4 MB) |
Calculating Scattering Matrices by Wave Function Matching - (pdf - 1.7 MB),
G. Brocks, V. M. Karpan, P. J. Kelly, P. A. Khomyakov, I. Marushchenko, A. Starikov, M. Talanana (Twente, The
Netherlands), I. Turek (Brno, Czech Republic), K. Xia (Beijing, China), P. X. Xu
(Twente, The Netherlands), M. Zwierzycki (Poznan, Poland), G. E. W. Bauer (Delft,
The Netherlands)
|
| Newsletter
79 - February 2007 - (pdf -1.6 MB) |
Exciting properties for solids: Exact-exchange based functionals meet
quasiparticle energy calculations - (pdf - 0.8 MB), P. Rinke (Berlin, Germany), A. Qteish (Berlin,
Germany and Irbid, Jordan), J. Neugebauer (Duesseldorf, Germany), M.
Scheffler (Berlin, Germany and Santa Barbara, USA)
|
2006 |
| Newsletter
78 - December 2006 - (pdf -2.2 MB) |
Spin Orbit Driven Physics at Surfaces - (pdf - 1.7 MB), M. Heide,
G. Bihlmayer, Ph. Mavropoulos, A. Bringer, S. Bluegel (Juelich, Germany)
|
| Newsletter
77 - October 2006 - (pdf -1.2 MB) |
Short-range correlations in disordered systems: the non-local
coherent-potential approximation - (pdf - 0.5 MB), D. A. Rowlands (Bristol, U. K.)
|
| Newsletter
76 - August 2006 - (pdf -2.3 MB) |
Density functional theory for superconductors - (pdf - 1.76 MB),
M. Lüders (Daresbury, U. K.), M. A. L. Marques (Coimbra, Portugal), A. Floris
(Berlin, Germany, and Cagliari, Italy), G. Profeta (Cagliari,
Italy), N. N. Lathiotakis (Berlin, Germany), C. Franchini (Cagliari,
Italy), A. Sanna (Cagliari, Italy), A. Continenza (L'Aquila, Italy),
S. Massidda (Cagliari, Italy), E. K. U. Gross (Berlin, Germany)
|
| Newsletter
75 - June 2006 - (pdf -1.1 MB) |
Infrared spectrum of hydrous minerals from first-principles calculations
- (pdf - 0.44 MB), E. Balan (Aix en Provence and Paris, France), M. Lazzeri (Paris,
France), F. Mauri (Paris, France)
|
| Newsletter
74 - April 2006 - (pdf -1.35 MB) |
Core-Level Shifts in Complex Metallic Systems from First Principles
- (pdf -1.1 MB), W. Olovsson (Kyoto, Japan), C. Göransson, T. Marten, and I. A. Abrikosov
(Linköping, Sweden)
|
| Newsletter
73 - February 2006 - (pdf -0.95 MB) |
Octopus: a tool for the application of time-dependent density functional
theory - (pdf - 0.45 MB), A. Castro (Berlin, Germany, and ETSF), M. A. L. Marques
(Coimbra, Portugal, and ETSF), H. Appel (Berlin, Germany, and
ETSF), M. Oliveira (Coimbra, Portugal, and ETSF), C. A. Rozzi (Modena,
Italy, and ETSF), X. Andrade (Paris, France, San Sebastian,
Spain, and ETSF), F. Lorenzen (Berlin, Germany), E. K. U. Gross (Berlin,
Germany, and ETSF), and A. Rubio (San Sebastian, Spain, Berlin,
Germany, and ETSF)
|
2005 |
| Newsletter
72- December 2005 - (pdf -0.7 MB) |
ONETEP: linear-scaling density-functional theory with plane waves -
(pdf - 0.4 MB), P. D. Haynes (Cavendish Laboratory, Cambridge, UK), C.-K. Skylaris (Oxford University,
UK), A. A. Mostofi (MIT, USA) and M. C. Payne (Cavendish Laboratory, Cambridge, UK)
|
| Newsletter
71 - October 2005 - (pdf - 1.6 MB) |
Ab Initio Modeling of Biological Systems - (pdf - 1.MB), S. Raugei and
P. Carloni (SISSA, Trieste, Italy)
|
| Newsletter
70 - August 2005 - (pdf - 0.6 MB) |
Diluted Magnetic Semiconductors - (pdf - 0.2MB), K. Sato, H.
Katayama-Yoshida (Osaka, Japan), and P.H. Dederichs (Juelich, Germany)
|
| Newsletter
69- June 2005 - (pdf -0.5 MB) |
Many-body perturbation theory using the density-functional concept -
(pdf -0.15MB), F. Bruneval (Paris, France), F. Sottile (Paris, France and
Donostia, Spain), V. Olevano (Paris and Grenoble, France), R. Del Sole
(Roma, Italy), and L. Reining (Paris, France)
|
| Newsletter
68- April 2005 - (pdf -0.9 MB) |
Correlated Electron-Ion Dynamics - (pdf - 0.5MB), T. N. Todorov,
C. G. Sanchez (Belfast, UK), D. R. Bowler (London, UK and Tsukuba,
Japan), A. P. Horsfield (London, UK)
|
| Newsletter
67 - February 2005 - (pdf -0.8 MB) |
Kinetic energy tuning for optimising pseudopotentials and projector
reduction - (pdf - 0.2 MB) , M.-H. Lee, J.-S. Lin (Cambridge, UK and Taipei, Taiwan),
M.C. Payne, V. Heine, V. Milman (Cambridge, UK), S. Crampin (Cambridge and Bath, UK)
|
2004 |
| Newsletter
66 - December 2004 - (pdf -1.1 MB) |
Learn on the "fly": a multiscale hybrid simulation method for
material systems - (pdf - 0.6 MB) , G. Csányi (Cambridge, UK), T. Albaret (Villeurbanne,
France), M. C. Payne (Cambridge, UK) and A. De Vita (London, UK and
Trieste, Italy)
|
| Newsletter
65 - October 2004 - (pdf -1.2 MB) |
MIKA - a multigrid-based program package for electronic structure
calculations - (pdf - 0.8 MB), T. Torsti (Helsinki and Espoo, Finland), V. Lindberg (Växjö,
Sweden), I. Makkonen (Helsinki, Finland), E. Ogando (Donostia, Spain),
E. Räsänen, H. Saarikoski, M. J. Puska and R. M. Nieminen (Helsinki, Finland)
|
| Newsletter
64 - August 2004 - (pdf -5.1 MB) |
Partial dislocations in wurtzite GaN - (pdf - 4.9 MB), J. Kioseoglou,
G. P. Dimitrakopulos, Ph. Komninou, H. M. Polatoglou, and Th. Karakostas (Thessaloniki Greece)
|
| Newsletter
63 - June 2004 - (pdf -0.9 MB) |
Ideal Strength of nano-structured components - (pdf - 0.5 MB),
Takayuki Kitamura, Yoshitaka Umeno and Akihiro Kushima (Kyoto, Japan)
|
| Newsletter
62 - April 2004 - (pdf -1.9 MB) |
Non-reactive metal-oxide interfaces: from model calculations towards
realistic simulations - (pdf - 1.6 MB), Jacek Goniakowski (Marseille and Paris, France), Christine Mottet
(Marseille, France) and Claudine Noguera (Paris, France)
|
| Newsletter
61 - February 2004 - (pdf -1.5 MB) |
Density Functional Studies of Molecular Magnets - (pdf - 1.039 MB),
Andrei V. Postnikov (Yekaterinburg, Russia and Osnabrück, Germany), Jens Kortus
(Stuttgart, Germany)and Mark R. Pederson (Washington DC, USA)
|
2003 |
| Newsletter
60 - December 2003 - (pdf -1.3 MB) |
Quantum Monte Carlo and the CASINO program: highly accurate total energy
calculations for finite and periodic systems - (pdf - 523 KB), M.D. Towler (Cambridge, UK)
|
| Newsletter
59 - October 2003 - (pdf -1.0 MB) |
Exchange interactions, spin waves, and transition temperatures in itinerant
magnets - (pdf - 375 KB), I. Turek (Brno and Prague, Czech Republic ), J. Kudrnovsky, V. Drchal
(Prague, Czech Republic), and P. Bruno (Halle, Germany)
|
| Newsletter
58 - August 2003 - (pdf - 2,648KB) |
Strength, magnetism and stability of metals and intermetallics at extreme
loading conditions - (pdf - 1,411KB), Mojmir Sob, Martin Friak, Dominik Legut (Brno, Czech Republic) and Vaclav
Vitek (Philadelphia, USA)
|
| Newsletter
57 - June 2003 - (pdf - 2,636KB) |
An Introduction to Maximally-Localized Wannier Functions - (pdf - 2,066KB),
Nicola Marzari (MIT, USA), Ivo Souza and David Vanderbilt (Rutgers, USA)
|
| Newsletter
56 - April 2003 - (pdf - 1,225KB) |
Realistic investigations of correlated electron systems with LDA+DMFT -
(pdf - 623KB), K. Held (MPI Stuttgart, Germany), I.A. Nekrasov Yekaterinburg, Russia),
G. Keller, V. Eyert (Augsburg, Germany), N. Blumer (Mainz, Germany), A.K. McMahan
(Livermore, USA), R.T. Scalettar (Davis, USA), Th. Pruschke (Augsburg,
Germany), V.I. Anisimov (Yekaterinburg, Russia) and D. Vollhardt (Augsburg,
Germany)
|
| Newsletter
55 - February 2003 - (pdf - 1,114KB) |
Electric transport perpendicular to the planes - (pdf - 217KB), Heike C.
Herper (Gerhard-Mercator University, Duisburg, Germany and Center for Computational Materials Science,
TU-Vienna, Austria)
|
2002 |
| Newsletter
54 - December 2002 - (pdf - 1,041KB) |
Pseudo-interactions and the electron-electron cusp - (pdf - 160KB),
Stephen Fahy, Paul Delaney and Jim Greer (Department of Physics and NMRC, University College, Cork, Ireland)
|
| Newsletter
53 - October 2002 - (pdf - 1,159KB) |
Ferromagnet/Superconductor Heterostructures - (pdf - 525KB), Mariusz
Krawiec (University of Bristol, UK)
|
| Newsletter
52 - August 2002 - (pdf - 1,560KB) |
Full-Potential Local-Orbital Minimum-Basis Scheme (FPLO) - (pdf - 848KB),
Klaus Koepernik, Helmut Eschrig, Ingo Opahle, Ulrike Nitzsche, Igor Chaplygin, and Manuel Richter (Leibnitz-Institut Dresden,
Germany)
|
| Newsletter
51 - June 2002 - (pdf - 1,366KB) |
Half-ferromagnetism and Slater-Pauling behavior in the Heusler alloys -
(pdf - 644KB), Iosif Galanakis, (Jülich, Germany)
|
| Newsletter
50 - April 2002 - (pdf - 1,221KB) |
Linear-response theory for the calculation of electron-phonon coupling
within the LAPW method - (pdf - 180KB), C. Ambrosch-Draxl, R. Kouba (University of Graz, Austria), A. Taga,
L. Nordström and B. Johansson (University of Uppsala, Sweden)
|
| Newsletter
49 - February 2002 - (pdf - 1,854KB) |
Optimizing Structure for Larger, Finite Systems - (pdf - 1,188KB),
M Springborg, J.-O. Joswig, V.G. Grigoryan, C. Gräf, S. Roy and P. Sarkar (University of Saarland, Germany)
|
2001 |
| Newsletter
48 - December 2001 - (pdf - 5,990KB) |
The SIESTA method for linear scaling ab initio simulations - (pdf - 1,179KB),
J.M. Soler (University of Madrid, Spain), E. Artacho (University of Cambridge, UK),
J.D. Gale (Imperial College London, UK), A. Garcia (University del Pais Vasco, Spain),
J. Junquera (University of Liege, Belgium), D. Sanchez-Portal (University del Pais Vasco,
Spain) and P. Ordejon (University of Barcelona, Spain)
|
| Newsletter
47 - October 2001 - (pdf - 852KB) |
Linear scaling ab initio calculations: Recent Progress with the Conquest
code - (pdf - 203KB), David Bowler (University College London, UK), Tsuyoshi Miyazaki (Tsukuba,
Japan), Mike Gillan (University College London, UK)
|
| Newsletter
46 - August 2001 - (pdf - 2,299KB) |
First principles simulations of hemeproteins: From the active center to the
full protein - (pdf - 1,106KB), Carme Rovira (University of Barcelona, Spain) and Michele Parrinello (ETH
Zurich, Switzerland)
|
Newsletter
45 - June 2001 - (pdf - 2,217KB)
Postscript files of SiSisp0.9.ps
(1,106KB) and CuBr_Ge.ps
(1,192KB) which provide the correct colour scheme for the bands. |
Third-generation MTOs - (pdf - 1,253KB), O.K. Andersen, T.
Saha-Dasgupta, S. Ezhov, L. Tsetseris, O. Jepsen, R.W. Tank, C. Arcangeli, and G. Krier (MPI Stuttgart, Germany)
|
| Newsletter
44 - April 2001 - (pdf - 1,503KB) |
Ab initio simulation of the proton dynamics in zeolites - (pdf - 384KB),
L. Benco, T. Demuth, J. Hafner (University of Vienna, Austria), F. Hutschka (Total Raffinage Distribution,
France), H. Toulhoat (Institut Francais du Pétrole, France)
|
| Newsletter
43 - February 2001 - (pdf - 1,159KB) |
Real-space relativistic spin-polarized photoemission, M. Woods, P.
Strange (University of Keele, UK), A. Ernst (MPI-Halle, Germany), and W.M. Temmerman
(Daresbury Laboratory, UK)
|
2000 |
| Newsletter
42 - December 2000 - (pdf - 2,237KB) |
High-pressure phases of the alkali metals, N.E. Christensen
(University of Aarhus, Denmark) and D.L. Novikov (Arthur D. Little Inc., MA, USA)
|
| Newsletter
41 - October 2000 - (pdf - 1,756KB) |
Fully unconstrained noncollinear magnetism within the PAW method,
D. Hobbs, G. Kresse and J. Hafner (University of Wien, Austria)
|
| Newsletter
40 - August 2000 - (pdf - 865KB) |
First-principles modelling of magnetic tunnel junctions, I.I. Oleinik,
E.Yu. Tsymbal, and D.G. Pettifor (University of Oxford, UK)
|
| Newsletter
39 - June 2000 - (pdf - 564KB) |
A new theorem for embedding with application to a new hybrid method for
difficult composite systems marrying configurational interaction and density functional calculations, Igor Abarenkov (St. Peterburg,
Russia) and Volker Heine (Cambridge, UK)
|
| Newsletter
38 - April 2000 - (pdf - 730KB) |
FLAPW goes Non-collinear, Ph. Kurz, G. Bihlmayer, F. Föster,
S.Blügel (Jülich, Germany) and L. Nordström (University of Uppsala, Sweden)
|
| Newsletter
37 - February 2000 - (pdf - 755KB) |
Self-Interaction Corrected Electronic Structure of Rare Earths, A.
Svane (University of Aarhus, DK), W.M. Temmerman (Daresbury Laboratory, UK), P. Strange
(University of Keele, UK), Z. Szotek (Daresbury Laboratory, UK) and H. Winter
(Forschungszentrum Karlsruhe, Germany)
|
1999 |
| Newsletter
36 - December 1999 - (pdf - 853KB) |
Spin fluctuations in nearly magnetic metals from ab-initio dynamical spin
susceptibility calculations, J.B. Staunton (University of Warwick, UK), J. Poulter (Mahidol University,
Thailand), B. Ginatempo, E. Bruno (Universita di Messina, Italy) and D.D. Johnson (University
of Illinois, USA)
|
| Newsletter
35 - October 1999 - (pdf - 775KB) |
Crystal Field Excitations as Quasi-Particles, M.S.S. Brooks
(European Commission, Joint Research Centre, Institute for Transuranium Elements, Karlsruhe, Germany), O. Eriksson
(University of Uppsala, Sweden), J.M. Wills (Los Alamos National Laboratory, USA), M.
Colarieti-Tosti and B. Johansson (University of Uppsala, Sweden)
|
| Newsletter
34 - August 1999 - (pdf - 535KB) |
Industrial Use of Electronic Structure Methods, Erich Wimmer,
Jörg-Rüdiger Hill, Peter Gravil and Walter Wolf (Molecular Simulations, Inc., France)
|
| Newsletter
33 - June 1999 - (pdf - 1,127KB) |
Quasi-particles and Van Hove Scenario for the Superconducting Cuprates,
B.L. Gyorffy (University of Bristol, UK), Z. Szotek, W.M. Temmerman (Daresbury Laboratory, UK),
O.K. Andersen, O. Jepsen (MPI Stuttgart, Germany), G. Litak (Technical University of Lublin,
Poland), A. Martin, J.F. Annett (University of Bristol, UK) and K.I. Wysokinski (M.
Curie-Sklodowska University, Poland)
|
| Newsletter
32 - April 1999 - (pdf - 1,170KB) |
Nanotubes: Mechanical and Spectroscopic Properties, E. Hernández
(University of Sussex, UK) and Angel Rubio (Universidad de Valladolid, Spain)
|
| Newsletter
31 - February 1999 - (pdf - 719KB) |
Matrix Methods, Iain S. Duff (Rutherford Appleton Laboratory,
UK)
|
1998 |
| Newsletter
30 - December 1998 - (pdf - 1,149KB) |
Nanowires: electronic and ionic structures, cohesive and transport
properties, A. Ayuela, J.-L. Mozos, R.M. Nieminen and M.J. Puska (Helsinki, Finland)
|
| Newsletter
29 - October 1998 - (pdf - 1,145KB) |
Novel Reconstruction Mechanisms: A Compatison Between Group-III-Nitrides
and "Traditional" III-V-Semiconductors , T. K. Zywietz, J. Neugebauer, M. Scheffler (Berlin, Germany) and
J. E. Northrup (Xerox Palo Alto, California, USA)
|
| Newsletter
28 - August 1998 - (pdf - 950KB) |
Energetics of 3d impurities on the (001) surface of iron, B. Nonas,
K. Wildberger, R. Zeller and P.H. Dederichs (Jülich, Germany)
|
| Newsletter
27 - June 1998 - (pdf - 545KB) |
Reaction Pathway for Co oxidation on Pt(111) from ab initio Density
Functional Theory, Ali Alavi, Peijun Hu, Thierry Deutsch (Belfast, UK), Pier Luigi Silvestrelli and Jurg
Hütter (Stuttgart, Germany)
|
| Newsletter
26 - April 1998 - (pdf -575KB) |
Electrical Conductivity of Multilayer Systems, C. Blaas (Wien,
Austria), L. Szunyogh (Wien, Austria and Budapest, Hungary), P.
Weinberger (Wien, Austria), P.M. Levy (New York, USA), J. Banhart (Bremen,
Germany) and C. Sommers (Paris, France)
|
| Newsletter
25 - February 1998 - (pdf - 1,217KB) |
Highlights of the 1997 Collaborations
|
1997 |
| Newsletter
24 - December 1997 - (pdf - 794KB) |
3-Body Scattering (3BS) theory of on-site correlation in narrow band
materials, Franca Manghi and Massimo Rontani (Modena, Italy)
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| Newsletter
23 - October 1997 - (pdf - 777KB) |
Forces and Lattice Relaxations Calculated by a Full-Potential KKR-Green's
Fnction Method, T. Korhonen, N. Papanikolaou, R. Zeller, P. Dederichs (Jülich, Germany) and N. Stefanou
(Athens, Greece)
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| Newsletter
22 - August 1997 - (pdf - 834KB) |
Applying Ab Initio Calculations in Mineralogy, Volker Heine
(Cambridge, UK) and Björn Winkler (Kiel, Germany)
|
| Newsletter
21 - June 1997 - (pdf - 1,110KB) |
Bridging the length and time scales: from ab initio electronic
structure calculations to macroscopic proportions, Paolo Ruggerone, Alex Kley and Matthias Scheffler (Berlin,
Germany)
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| Newsletter
20 - April 1997 - (pdf - 586KB) |
Variable cell-shape molecular dynamics, José Luís Martins
(Lisboa, Portugal)
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| Newsletter
19 - February 1997 - (pdf - 891KB) |
Highlights of the 1996 Collaborations
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1996 |
| Newsletter
18 - December 1996 - (pdf - 694KB) |
Paint by Numbers: Oxide surface Chemistry using First-Principles MD,
P.J.D. Lindan, N.M. Harrison (Daresbury, UK) and M.J. Gillan (Keele, UK)
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| Newsletter
Special Edition - November 1996 - (pdf - 228KB) |
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| Newsletter
17 - October 1996 - (pdf - 922KB) |
Electronic Structure using Wavelets, James F. Annett (Bristol,
UK)
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| Newsletter
16 - August 1996 - (pdf - 784KB) |
Orbital Functionals in Density Functional Theory: The Optimized Effective
Potential Method, T. Grabo, E.K.U. Gross and M. Lüders (Würzburg, Germany)
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| Newsletter
15 - June 1996 - (pdf - 839KB) |
Magnetically Stabilized Surface Alloys, S. Blügel
(Jülich, Germany)
|
| Newsletter
14 - April 1996 - (pdf - 797KB) |
Non-collinear magnetism: effects of symmetry and relativity, L.M.
Sandratskii and J. Kübler (Darmstadt, Germany)
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| Newsletter
13 - February 1996 - (pdf - 1,076KB) |
Highlights of the 1995 Collaborations
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1995 |
| Newsletter
12 - December 1995 - (pdf - 1,270KB) |
Ab-initio calculation of Giant Magnetoresistance in magnetic multilayers,
Peter Zahn, Ingrid Mertig, Manuel Richter and Helmut Eschrig (Dresden, Germany)
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| Newsletter
11 - October 1995 - (pdf - 956KB) |
First Principles Simulations of Nanoindentation and Atomic Force Microscopy
on Silicon Surfaces, Ruben Perez, Michael C. Payne (Cambridge, UK), Ivan Stich and Kiyoyuki Terakura
(Tsukuba, Japan)
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| Newsletter
10 - August 1995 - (pdf - 821KB) |
Mixed-stack organic charge-transfer compounds (A few steps in the jungle),
C. Koenig and C. Hoerner (Rennes, France)
|
| Newsletter
9 - June 1995 - (pdf - 774KB) |
On oscillations of thermodynamic quantities for degenerate fermi gas at low
temperatures, I.M. Lifshitz and A.M. Kosevich- translated by Ivonna Siraskova (Brno, Czech Republic) and
provided by Balazs Ujfalussy (Budapest, Hungary and Wien, Austria)
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| Newsletter
8 - April 1995 - (pdf - 987KB) |
Comment on: Porous Silicon, O. Bisi (Trento, Italy)
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| Newsletter
7 - February 1995 - (pdf - 798KB) |
Galvano-magnetic and magneto-optical properties of transition metal systems,
H. Ebert (München, Germany), G.-Y. Guo (Daresbury,UK) and J. Banhart (Bremen,
Germany)
|
1994 |
| Newsletter
6 - December 1994 - (pdf - 609KB) |
The Bogoliubov-de Gennes (BDG) equations for superconductors: why and how
we solve them, B.L. Györffy and P. Miller (Bristol, UK)
|
| Newsletter
5 - October 1994 - (pdf - 440KB) |
Comment on How do Hartree-Fock and DFT-LDA (Density Functional Theory in
Local Density Approximation for Exchange and Correlation) Compare ? C. Molteni and V. Heine (Cambridge, UK)
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| Newsletter
4 - August 1994 - (pdf - 361KB) |
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| Newsletter
3 - June 1994 - (pdf - 517KB) |
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| Newsletter
2 - April 1994 - (pdf - 356KB) |
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| Newsletter
1 - February 1994 - (pdf - 353KB) |
Comment on: Electronic Structure of Cerium in the Self-Interaction
Corrected Local Spin Density Approximation, A. Svane (Aarhus, Denmark), Z. Szotek, W.M. Temmerman
(Daresbury, UK) and H. Winter (Karlsruhe, Germany)
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