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Paweł Sałek

uit the arctic university of tromso

33H指数
114论文数
5.3K被引数
收录论文 36
发表时间
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The Dalton quantum chemistry program system
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2013-09-23
err1.4K
errOAAI
errAidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjorn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pal; Dalskov, Erik K.; Ekstrom, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernandez, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenaes, Eirik; Host, Stinne; Hoyvik, Ida-Marie; Iozzi, Maria Francesca; Jansik, Branislav; Jensen, Hans Jorgen Aa.; Jonsson, Dan; Jorgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjrgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnaes, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf H.; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas B.; Provasi, Patricio F.; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; de Meras, Alfredo Sanchez; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H.; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik I.; Tew, David P.; Thorvaldsen, Andreas J.; Thogersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Agren, Hans
err分享
err收藏
Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study (vol 29, pg 1725, 2008)
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-11-22
err0
PREAI
errBondesson, Laban; Rudberg, Elias; Luo, Yi; Salek, Pawel
err分享
err收藏
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2010-12-30
err92
PREAI
errRudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel
err分享
err收藏
An efficient density-functional-theory force evaluation for large molecular systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-07-22
err17
PREAI
errReine, Simen; Krapp, Andreas; Iozzi, Maria Francesca; Bakken, Vebjorn; Helgaker, Trygve; Pawlowski, Filip; Salek, Pawel
err分享
err收藏
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-07-06
err35
PREAI
errKjaergaard, Thomas; Jorgensen, Poul; Thorvaldsen, Andreas J.; Salek, Pawel; Coriani, Sonia
err分享
err收藏
Density-functional studies of plasmons in small metal clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-05-01
err42
PREAI
errLian, Ke-Yan; Salek, Pawel; Jin, Mingxing; Ding, Dajun
err分享
err收藏
Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-12-09
err7
PREAI
errRudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel
err分享
err收藏
Truncation of Small Matrix Elements Based on the Euclidean Norm for Blocked Data Structures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2008-09-24
err9
PREAI
errRubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel
err分享
err收藏
Variational and robust density fitting of four-center two-electron integrals in local metrics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-09-08
err79
errOAAI
errReine, Simen; Tellgren, Erik; Krapp, Andreas; Kjaergaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Host, Stinne; Salek, Pawel
err分享
err收藏
Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2008-06-10
err11
PREAI
errBondesson, Laban; Rudberg, Elias; Luo, Yi; Salek, Pawel
err分享
err收藏
Hartree-Fock calculations with linearly scaling memory usage
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-05-13
err37
PREAI
errRudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel
err分享
err收藏
Density matrix purification with rigorous error control
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-02-20
err39
PREAI
errRubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel
err分享
err收藏
Electronic circular dichroism of disulphide bridge: Ab initio quantum-chemical calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-08-28
err18
PREAI
errSkomorowski, Wojciech; Pecul, Magdalena; Salek, Pawel; Helgaker, Trygve
err分享
err收藏
Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons
errNANO LETTERS
IF9.1
err2007-06-29
err194
PREAI
errRudberg, Elias; Salek, Pawel; Luo, Yi
err分享
err收藏
A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-05-14
err29
PREAI
errRubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel
err分享
err收藏
A self-contained and portable density functional theory library for use in ab initio quantum chemistry programs
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-05-07
err22
errOAAI
errSalek, Pawel; Hesselmann, Andreas
err分享
err收藏
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-04-18
err88
PREAI
errCoriani, Sonia; Host, Stinne; Jansik, Branislav; Thogersen, Lea; Olsen, Jeppe; Jorgensen, Poul; Reine, Simen; Pawlowski, Filip; Helgaker, Trygve; Salek, Pawel
err分享
err收藏
Linear-scaling implementation of molecular electronic self-consistent field theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-03-21
err76
errOAAI
errSalek, Pawel; Host, Stinne; Thogersen, Lea; Jorgensen, Poul; Manninen, Pekka; Olsen, Jeppe; Jansik, Branislav; Reine, Simen; Pawlowski, Filip; Tellgren, Erik; Helgaker, Trygve; Coriani, Sonia
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err收藏
Efficient implementation of the fast multipole method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-08-23
err29
PREAI
errRudberg, Elias; Salek, Pawel
err分享
err收藏
Heisenberg exchange in dinuclear manganese complexes:: A density functional theory study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2006-05-03
err38
PREAI
errRudberg, Elias; Salek, Pawel; Rinkevicius, Zilvinas; Agren, Hans
err分享
err收藏

研究方向

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