000820654 001__ 820654 000820654 005__ 20210129224542.0 000820654 0247_ $$2doi$$a10.1063/1.4965429 000820654 0247_ $$2ISSN$$a0021-9606 000820654 0247_ $$2ISSN$$a1089-7690 000820654 0247_ $$2WOS$$aWOS:000388616100027 000820654 0247_ $$2Handle$$a2128/18977 000820654 0247_ $$2altmetric$$aaltmetric:13448537 000820654 0247_ $$2pmid$$apmid:27846672 000820654 037__ $$aFZJ-2016-05923 000820654 082__ $$a540 000820654 1001_ $$0P:(DE-HGF)0$$aRopo, Matti$$b0 000820654 245__ $$aCollective excitations and viscosity in liquid Bi 000820654 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2016 000820654 3367_ $$2DRIVER$$aarticle 000820654 3367_ $$2DataCite$$aOutput Types/Journal article 000820654 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1531725610_26636 000820654 3367_ $$2BibTeX$$aARTICLE 000820654 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000820654 3367_ $$00$$2EndNote$$aJournal Article 000820654 520__ $$aThe analysis of extensive density functional/molecular dynamics simulations (over 500 atoms, up to 100 ps) of liquid bismuth at four temperatures between 573 K and 1023 K has provided details of the dynamical structure factors, the dispersion of longitudinal and transverse collective modes, and related properties (power spectrum, viscosity, and sound velocity). Agreement with available inelastic x-ray and neutron scattering data and with previous simulations is generally very good. The results show that density functional/molecular dynamics simulations can give dynamical information of good quality without the use of fitting functions, even at long wavelengths. 000820654 536__ $$0G:(DE-HGF)POF3-142$$a142 - Controlling Spin-Based Phenomena (POF3-142)$$cPOF3-142$$fPOF III$$x0 000820654 536__ $$0G:(DE-HGF)POF3-143$$a143 - Controlling Configuration-Based Phenomena (POF3-143)$$cPOF3-143$$fPOF III$$x1 000820654 536__ $$0G:(DE-Juel1)jiff37_20121101$$aDensity functional simulations of phases of elements (jiff37_20121101)$$cjiff37_20121101$$fDensity functional simulations of phases of elements$$x2 000820654 588__ $$aDataset connected to CrossRef 000820654 7001_ $$0P:(DE-Juel1)130496$$aAkola, Jaakko$$b1 000820654 7001_ $$0P:(DE-Juel1)130741$$aJones, Robert O.$$b2$$eCorresponding author$$ufzj 000820654 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/1.4965429$$gVol. 145, no. 18, p. 184502 -$$n18$$p184502$$tThe journal of chemical physics$$v145$$x1089-7690$$y2016 000820654 8564_ $$uhttps://juser.fz-juelich.de/record/820654/files/1.4965429.pdf$$yOpenAccess 000820654 8564_ $$uhttps://juser.fz-juelich.de/record/820654/files/1.4965429.gif?subformat=icon$$xicon$$yOpenAccess 000820654 8564_ $$uhttps://juser.fz-juelich.de/record/820654/files/1.4965429.jpg?subformat=icon-180$$xicon-180$$yOpenAccess 000820654 8564_ $$uhttps://juser.fz-juelich.de/record/820654/files/1.4965429.jpg?subformat=icon-700$$xicon-700$$yOpenAccess 000820654 909CO $$ooai:juser.fz-juelich.de:820654$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire 000820654 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130741$$aForschungszentrum Jülich$$b2$$kFZJ 000820654 9131_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0 000820654 9131_ $$0G:(DE-HGF)POF3-143$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Configuration-Based Phenomena$$x1 000820654 9141_ $$y2016 000820654 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS 000820654 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search 000820654 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ CHEM PHYS : 2015 000820654 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection 000820654 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index 000820654 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded 000820654 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5 000820654 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 000820654 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC 000820654 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences 000820654 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database 000820654 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz 000820654 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline 000820654 915__ $$0StatID:(DE-HGF)0550$$2StatID$$aNo Authors Fulltext 000820654 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List 000820654 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0 000820654 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1 000820654 9201_ $$0I:(DE-82)080009_20140620$$kJARA-FIT$$lJARA-FIT$$x2 000820654 9201_ $$0I:(DE-82)080012_20140620$$kJARA-HPC$$lJARA - HPC$$x3 000820654 980__ $$ajournal 000820654 980__ $$aVDB 000820654 980__ $$aI:(DE-Juel1)IAS-1-20090406 000820654 980__ $$aI:(DE-Juel1)PGI-1-20110106 000820654 980__ $$aI:(DE-82)080009_20140620 000820654 980__ $$aI:(DE-82)080012_20140620 000820654 980__ $$aUNRESTRICTED 000820654 9801_ $$aFullTexts 000820654 981__ $$aI:(DE-Juel1)PGI-1-20110106