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  • A Full Potential LMTO Method ...
    http://al1.phys.sci.osaka-u.ac.jp/~kotani/stras.pdf

  • The Lise Meitner-Minerva Center ...
    http://alpha.ch.huji.ac.il/public_html/PDFS/LiseMeitner-codes.pdf

  • Real-space mesh techniques in density functional theory...
    http://bessie.che.uc.edu/tlb/research/rmptb.html

  • Methods of Electronic-Structure Calculations : From Molecules to Solids - Wiley ...
    http://bookweb.kinokuniya.co.jp/htmy/0471979767.html

  • Earth and Planetary Science Letters 203 (2002) 567^575 ...
    http://bowfell.geol.ucl.ac.uk/~lidunka/papers/25.pdf

  • JOURNAL OF CHEMICAL PHYSICS VOLUME 114, NUMBER 22 8 JUNE 2001 ...
    http://chem.wayne.edu/schlegel/Pub_folder/242.pdf

  • Parallel Methods for First Principles Materials Simulation...
    http://cmp.ameslab.gov/cmp/hpcc/node11.html

  • AB-INITIO SIMULATIONS IN MATERIALS ...
    http://cms.mpi.univie.ac.at/vasp-workshop/slides/comput_mat.pdf

  • An Ab Initio Study of Defects in ...
    http://cmt.phys.ncl.ac.uk/theses/dj96.pdf

  • 1 ...
    http://crd.lbl.gov/~davidra/DBRdissertation.ps

  • PHYSICAL REVIEW B 69, 064429 2004 ...
    http://cst-www.nrl.navy.mil/~mazin/list/pd.pdf

  • Wiley InterScience: Journal: Abstract...
    http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1%3C809::AID-PSSB809%3

  • Taylor & Francis Group - Article...
    http://dx.doi.org/10.1080/002689796173912

  • Phys. Rev. B 43, 1993 (1991): Troullier and Martins - Efficient pseudopotentials...
    http://dx.doi.org/10.1103%2FPhysRevB.43.1993

  • ElectronicStructure.org...
    http://electronicstructure.org/references.asp

  • Development of a new ab initio approach for NMR ...
    http://elib.uni-stuttgart.de/opus/volltexte/2001/792/pdf/dr.pdf

  • Tuesday morning, 21 March 1995...
    http://flux.aps.org/meetings/BAPSMAR95/tocE.html

  • Applied Physics Reports 2000-106 ...
    http://fy.chalmers.se/~hyldgaar/publications/japan.pdf

  • PHYSICAL REVIEW B 68, 155401 2003 ...
    http://fy.chalmers.se/~tfymp/Preprints/AP02-5/ms.pdf

  • PERGAMON Solid State Communications 114 (2000) 15­20 ...
    http://fy.chalmers.se/~tfysg/FLAPW/sjostedt00.pdf

  • Istituto Nazionale di Fisica della Materia ...
    http://infm.cineca.it/preventivi_consuntivi/consuntivo97/chiarotti97.pdf

  • RAPID COMMUNICATIONS ...
    http://jrc.cems.umn.edu/postscript/partialdensity.pdf

  • SISSA ISAS ...
    http://lcbcpc21.epfl.ch/sulpizi/phd_lore.pdf

  • ELECTRONIC STRUCTURE CALCULATIONS FOR VACANCIES AND ...
    http://lib.hut.fi/Diss/2000/isbn9512251027/isbn9512251027.pdf

  • Phys. Rev. B 28, 7346 (1983): Holzschuh - Convergence of momentum space,......
    http://link.aps.org/doi/10.1103/PhysRevB.28.7346

  • Quantum-mechanical investigation of bonding ...
    http://lorax.chem.upenn.edu/Research/Papers/spiecuco/spiecuco.pdf

  • Quantum-mechanical investigation of bonding ...
    http://lorax.chem.upenn.edu/Research/Papers/spiecuco/spiecuco.ps

  • ...
    http://molsim.chem.uva.nl/students/marc_van_bochove/Thesis_research-stage_M

  • marques/octopus/doc/octopus.info-1 - view - 1.3...
    http://nautilus.fis.uc.pt/cgi-bin/cvsweb.cgi/marques/octopus/doc/octopus.in

  • Controlling organic reactions on silicon surfaces with a scanning ...
    http://ned1.sims.nrc.ca/~wolkow/pdfs/0019.pdf

  • Finite difference methods for ab initio ...
    http://nemo.physics.ncsu.edu/~nardelli/My%20Papers/Hanbook_4-15.pdf

  • The Ab Initio Cluster Method and the ...
    http://newton.ex.ac.uk/research/qsystems/jones/papers/latest/review.pdf

  • The Ab Initio Cluster Method and the ...
    http://newton.ex.ac.uk/research/semiconductors/theory/jones/papers/latest/r

  • Chapter ...
    http://ocw.mit.edu/NR/rdonlyres/Materials-Science-and-Engineering/3-320Atom

  • THEORY OF MINERALS AT HIGH AND ULTRAHIGH PRESSURES : ...
    http://olivine.ethz.ch/~artem/Publications/Erice-chapter.pdf

  • Paramagnetic Na3+ ...
    http://people.web.psi.ch/windiks/docs/phdthesis.pdf

  • P H Y S I C A L R E V I E W L E T T E R S week ending ...
    http://people.wm.edu/~hxkrak/Papers/Zhang-Krakauer_PRL90_136401_2003.pdf

  • Density Functional Theory and ...
    http://phys.cts.nthu.edu.tw/workshop/summer/cmr/summercourse2003/SummCourse

  • Plane-wave pseudopotential method ...
    http://phys.cts.nthu.edu.tw/workshop/summer/cmr/summercourse2003/ccheng_4th

  • ELECTRONIC STRUCTURE METHODS WITH APPLICATIONS ...
    http://plato.phy.ohiou.edu/~drabold/pub/44.pdf

  • Recent Developments in Computer Modeling of Amorphous Materials...
    http://plato.phy.ohiou.edu/~drabold/rom.html

  • k Newsletter ...
    http://psi-k.dl.ac.uk/newsletters/News_59/newsletter_59.pdf

  • 10 SCIENTIFIC HIGHLIGHT OF THE MONTH ...
    http://psi-k.dl.ac.uk/newsletters/News_60/Highlight_60.pdf

  • Comprehensive Summaries of Uppsala Dissertations ...
    http://publications.uu.se/uu/fulltext/nbn_se_uu_diva-678.pdf

  • 9208 J. Phys. Chem. B 2004, 108, 9208-9215 ...
    http://samson.chem.umass.edu/~auerbach/pub_pdf/pap52.pdf

  • VII ...
    http://simu.ulb.ac.be/newsletters/N1V.pdf

  • AAB Proposal: Quantum mechanical simulation of dopants and ...
    http://surphy.fat.bme.hu/pub/Reports/Tera_appl.ps

  • Gaussian form of effective core potential and response function ...
    http://theorie5.physik.unibas.ch/bruder/audriusphyschem.pdf

  • Practical session IX ...
    http://theory.lsi.polytechnique.fr/codes/dp/tutorial/dptutorial.pdf

  • Mat. Res. Soc. Symp. Proc. Vol. 677 © 2001 Materials Research Society ...
    http://titus.phy.qub.ac.uk/group/Jorge/Papers/siesta_mrs.pdf

  • PHYSICAL REVIEW B VOLUME 60, NUMBER 12 15 SEPTEMBER 1999-II ...
    http://w3.rz-berlin.mpg.de/~schoene/Articles/PRB_60_8616.pdf

  • PHYSICAL REVIEW B 68, 115102 2003 ...
    http://w3.rz-berlin.mpg.de/~schoene/Articles/PRB_68_115102.pdf

  • 11 LECTURE 8. PERIODIC SOLIDS: QUANTITATIVE THEORY 1 ...
    http://web.mse.kth.se/~delin/sams_files/chapter11.pdf

  • ATOMIC SCALE MODELING OF ...
    http://www-tcad.stanford.edu/tcad/pubs/theses/kawamoto.pdf

  • Structural energies of elemental Boron ...
    http://www.ccmr.cornell.edu/~clh/PRBoron.ps

  • CCP3 ...
    http://www.ccp3.ac.uk/Publications/CCP3Newsletter/jan2000.pdf

  • ...
    http://www.cecam.fr/activities/reports/reports98/in_ordejon.tex.txt

  • Chapter 5 ...
    http://www.chem.ucla.edu/carter/papers/review.ps

  • JOURNAL OF CHEMICAL PHYSICS VOLUME 115, NUMBER 22 8 DECEMBER 2001 ...
    http://www.chem.wayne.edu/schlegel/Pub_folder/247.pdf

  • Eur. Phys. J. D 10, 105­114 (2000) THE EUROPEAN ...
    http://www.cms.tuwien.ac.at/publications/pdf2000/epjd10-105-00.pdf

  • Ab-initio simulation of photoinduced effects in chalcogenide ...
    http://www.cus.cam.ac.uk/~gn203/gana_cpgs.pdf

  • Zen and the art ...
    http://www.democritos.it/events/pw-tutorial/lectures/PW_CINECA.pdf

  • sret ...
    http://www.esc.cam.ac.uk/astaff/dove/publications/MM_cristII_2000.pdf

  • sret ...
    http://www.esc.cam.ac.uk/astaff/redfern/pdf%20offprints/MM_Dove_etal_Crist.

  • JOURNAL OF CHEMICAL PHYSICS VOLUME 112, NUMBER 4 22 JANUARY 2000 ...
    http://www.fh.huji.ac.il/~roib/Postscripts/scafmc_behs.pdf

  • Application of Density Functional Theory in Condensed Matter Physics Surface Phy...
    http://www.fhi-berlin.mpg.de/th/Meetings/FHImd2001/fuchs1.pdf

  • Workshop on Application of Density-Functional Theory in Condensed Matter Physics...
    http://www.fhi-berlin.mpg.de/th/Meetings/FHImd2003/Dtalks/FHI-WS2003-L04-Fu

  • INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER ...
    http://www.hpc.susx.ac.uk/~ewels/science/publications/papers/graphitisation

  • Bull. Mater. Sci., Vol. 26, No. 1, January 2003, pp. 33­41. © Indian Academy of ...
    http://www.ias.ac.in/matersci/bmsjan2003/Bms3867.pdf

  • ...
    http://www.ibiblio.org/pub/academic/physics/Cold-fusion/vince-cate/mb.ascii

  • JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER 13 1 OCTOBER 2004 ...
    http://www.ictp.trieste.it/~scandolo/pdf/ceresoli_jcp_121_6478_2004.pdf

  • PHYSICAL REVIEW B VOLUME 53, NUMBER 20 15 MAY 1996-II ...
    http://www.ifto.uni-jena.de/~wgs/Dpubl/PRB53_13725_96.pdf

  • Nanoelect ...
    http://www.lancs.ac.uk/users/esqn/nanoelectronics/presentations/di_felice.p

  • Plutonium Futures--The Science ...
    http://www.lanl.gov/orgs/nmt/nmtdo/PuConf2003/2KTransactions/PuFutures_4of4

  • Preprint ...
    http://www.llnl.gov/CASC/people/fattebert/pub/Chapt_Handbook.pdf

  • FULL PAPER ...
    http://www.lrz-muenchen.de/projekte/hlrb-projects/reports/h0581_a1.pdf

  • Letter of Intent ...
    http://www.maxlab.lu.se/kfoto/LOI/stot.pdf

  • American Mineralogist, Volume 85, pages 608­612, 2000 ...
    http://www.minsocam.org/MSA/AmMin/TOC/Articles_Free/2000/Winkler_p608-612_0

  • American Mineralogist, Volume 87, pages 958­965, 2002 ...
    http://www.minsocam.org/MSA/AmMin/TOC/Articles_Free/2002/Sainz-Diaz_p958-96

  • The oxygen vacancy at the surface and in bulk MgO: An embedded-cluster ...
    http://www.mpipks-dresden.mpg.de/~birken/Reprints/JCP107p9645.pdf

  • MRI eMaterials @ Penn State, Volume 2, Issue 13...
    http://www.mri.psu.edu/ematerials/v02i13.asp

  • Large-Scale Electronic Structure Calculations in solids, P. Giannozzi, in Comput...
    http://www.nest.sns.it/~giannozz/Papers/Australia.pdf

  • Lecture Notes Interatomic Forces Mike Finnis ...
    http://www.newton.cam.ac.uk/programmes/old_progs/SMM/finnis.ps

  • EUROPHYSICS LETTERS 1 October 1998 ...
    http://www.phys.jyu.fi/homepages/hakkinen/papers/p27.pdf

  • PHYSICAL REVIEW B VOLUME 55, NUMBER 16 15 APRIL 1997-II ...
    http://www.physast.uga.edu/~lewis/Papers/prb_CrO2.pdf

  • PHYSICAL REVIEW B, VOLUME 65, 035109 ...
    http://www.physics.rutgers.edu/~dhv/journal/is_mwf.pdf

  • PHYSICAL REVIEW B, VOLUME 63, 245407 ...
    http://www.physics.uc.edu/~jarrell/COURSES/KELDYSH/guo1.pdf

  • First Principles Study of the Structure and Chemistry of Mg-Based Hydrotalcite-L...
    http://www.princeton.edu/~aselloni/jp026339k.pdf

  • VALLADOLID Abstracts...
    http://www.roma2.infn.it/users/onida/w99/abstr99.html

  • VOLUME 86, NUMBER 9 P H Y S I C A L R E V I E W L E T T E R S 26 FEBRUARY 2001 ...
    http://www.ruf.rice.edu/~rau/phys600/PRL001733.pdf

  • Quantum Mechanics: Physics - CASTEP...
    http://www.sinica.edu.tw/~scimath/msi/cerius45/eom/04_CASTEP.html

  • PHYSICAL REVIEW B VOLUME 61, NUMBER 4 15 JANUARY 2000-II ...
    http://www.sissa.it/~dalcorso/publications/PRB-61-2621-2000.pdf

  • ...
    http://www.spscicomp.org/ScicomP9/Presentations/Scicomp_tutorial_marzo_2004

  • Computational Nanomechanics of Materials ...
    http://www.tam.nwu.edu/wkl/_WingKamLiu/_links/_publications/_pdf/Computatio

  • PHYSICAL REVIEW B, VOLUME 63, 165206 ...
    http://www.tcd.ie/Physics/People/Stefano.Sanvito/PAPER/PAPER_PDF/PRB-63-165

  • Plane Waves and Pseudopotentials...
    http://www.tcm.phy.cam.ac.uk/~mds21/report/node10.html

  • The Choice of a Basis Set - Plane Waves...
    http://www.tcm.phy.cam.ac.uk/~mds21/thesis/node15.html

  • octopus: a first-principles tool for excited ...
    http://www.tddft.org/programs/octopus/download/cpc.pdf

  • Numerical methods (I & II) ...
    http://www.tddft.org/school_TDDFT/School/IterativeTechniques_CD.pdf

  • Calculations of Clean and Adsorbate Covered Metal ...
    http://www.teorfys.lu.se/personal/Martin.Birgersson/martinphd.pdf

  • John von Neumann Institute for Computing ...
    http://www.theochem.ruhr-uni-bochum.de/research/marx/marx.pdf

  • First-Principles Studies of N and P Dopant Interactions in SiC: Implications for...
    http://www.ttp.net/0-87849-920-2/649.htm

  • Chemistry 121 Notes ...
    http://www.wag.caltech.edu/home/rpm/notes/Chem121.pdf

  • Hydrogen adsorption energies on bimetallic overlayer systems at the solid-vacuum...
    http://www1.physik.tu-muenchen.de/lehrstuehle/T30g/publications/HBiMe_H2O.p

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