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Sökning: WFRF:(Elnaggar Hebatalla) > 2p x-ray absorption...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00006887naa a2200829 4500
001oai:DiVA.org:su-195251
003SwePub
008210811s2021 | |||||||||||000 ||eng|
009oai:DiVA.org:uu-446191
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-1952512 URI
0247 a https://doi.org/10.1016/j.elspec.2021.1470612 DOI
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4461912 URI
040 a (SwePub)sud (SwePub)uu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a de Groot, Frank M. F.u Univ Utrecht, Debye Inst Nanomat Sci, NL-3584 CG Utrecht, Netherlands.4 aut
2451 0a 2p x-ray absorption spectroscopy of 3d transition metal systems
264 1b Elsevier BV,c 2021
338 a electronic2 rdacarrier
520 a This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculation and we discuss the wavefunction based methods, including multi-reference methods. We end the review with a discussion of the link between theory and experiment and discuss the open issues in the spectral analysis.
650 7a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng
650 7a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng
650 7a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
653 a X-ray absorption spectroscopy
653 a Density Functional Theory
653 a Quantum chemistry calculations
7001 a Elnaggar, Hebatallau Univ Utrecht, Debye Inst Nanomat Sci, NL-3584 CG Utrecht, Netherlands.4 aut
7001 a Frati, Federica4 aut
7001 a Wang, Ru-panu Univ Utrecht, Debye Inst Nanomat Sci, NL-3584 CG Utrecht, Netherlands.4 aut
7001 a Delgado-Jaime, Mario U.u Univ Guadalajara, Blvd Marcelino Garcia Barragan 1421, Guadalajara 44430, Jalisco, Mexico.4 aut
7001 a van Veenendaal, Michelu Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA.;Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Argonne, IL 60439 USA.4 aut
7001 a Fernandez-Rodriguez, Javieru Diamond Light Source, Magnet Spect Grp, Didcot OX11 0DE, Oxon, England.4 aut
7001 a Haverkort, Maurits W.u Heidelberg Univ, Inst Theoret Phys, 19 Philosophenweg, D-69120 Heidelberg, Germany.4 aut
7001 a Green, Robert J.u Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada.;Univ British Columbia, Stewart Blusson Quantum Matter Inst, Vancouver, BC V6T 1Z4, Canada.4 aut
7001 a van der Laan, Gerritu Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.4 aut
7001 a Kvashnin, Yaroslavu Uppsala universitet,Materialteori4 aut0 (Swepub:uu)yarkv416
7001 a Hariki, Atsushiu Osaka Prefecture Univ, Grad Sch Engn, Dept Phys & Elect, Naka Ku, 1-1 Gakuen Cho, Sakai, Osaka 5998531, Japan.4 aut
7001 a Ikeno, Hidekazuu Osaka Prefecture Univ, Grad Sch Engn, Dept Mat Sci, Naka Ku, 1-2 Gakuen Cho, Sakai, Osaka 5998570, Japan.4 aut
7001 a Ramanantoanina, Harryu Johannes Gutenberg Univ Mainz, Dept Chem, D-55128 Mainz, Germany.4 aut
7001 a Daul, Claudeu Univ Fribourg, Dept Chem, CH-1700 Fribourg, Switzerland.4 aut
7001 a Delley, Bernardu Paul Scherrer Inst, Condensed Matter Theory Grp, CH-5232 Villigen, Switzerland.4 aut
7001 a Odelius, Michaelu Stockholms universitet,Fysikum,Stockholm Univ, Alballova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.4 aut0 (Swepub:su)odelius
7001 a Lundberg, Marcus,d 1974-u Uppsala universitet,Molekylär biomimetik4 aut0 (Swepub:uu)marlu250
7001 a Kuhn, Oliveru Univ Rostock, Inst Phys, Rostock, Germany.4 aut
7001 a Bokarev, Sergeyu Univ Rostock, Inst Phys, Rostock, Germany.4 aut
7001 a Shirley, Ericu NIST, Gaithersburg, MD 20899 USA.4 aut
7001 a Vinson, Johnu NIST, Gaithersburg, MD 20899 USA.4 aut
7001 a Gilmore, Keithu Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Div, Upton, NY 11973 USA.4 aut
7001 a Stener, Maurou Univ Trieste, Chem & Pharmaceut Sci Dept, Via L Giorgieri 1, I-34127 Trieste, Italy.4 aut
7001 a Fronzoni, Giovannau Univ Trieste, Chem & Pharmaceut Sci Dept, Via L Giorgieri 1, I-34127 Trieste, Italy.4 aut
7001 a Decleva, Pierou Univ Trieste, Chem & Pharmaceut Sci Dept, Via L Giorgieri 1, I-34127 Trieste, Italy.4 aut
7001 a Kruger, Peteru Chiba Univ, Grad Sch Sci & Engn, Chiba, Japan.4 aut
7001 a Retegan, Mariusu ESRF, 71 Ave Martyrs, F-38000 Grenoble, France.4 aut
7001 a Joly, Yvesu Univ Grenoble Alpes, Inst Neel, CNRS, F-38042 Grenoble, France.4 aut
7001 a Vorwerk, Christianu Humboldt Univ, Inst Phys, Berlin, Germany.;Humboldt Univ, IRIS Adlershof, Berlin, Germany.4 aut
7001 a Draxl, Claudiau Humboldt Univ, Inst Phys, Berlin, Germany.;Humboldt Univ, IRIS Adlershof, Berlin, Germany.4 aut
7001 a Rehr, Johnu Univ Washington, Dept Phys, Box 351560, Seattle, WA 98195 USA.4 aut
7001 a Tanaka, Aratau Hiroshima Univ, Dept Quantum Matter, Higashihiroshima 7398530, Japan.4 aut
7102 a Univ Utrecht, Debye Inst Nanomat Sci, NL-3584 CG Utrecht, Netherlands.b Univ Guadalajara, Blvd Marcelino Garcia Barragan 1421, Guadalajara 44430, Jalisco, Mexico.4 org
7730 t Journal of Electron Spectroscopy and Related Phenomenad : Elsevier BVg 249q 249x 0368-2048x 1873-2526
8564 u https://doi.org/10.1016/j.elspec.2021.147061y Fulltext
8564 u https://su.diva-portal.org/smash/get/diva2:1584283/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
8564 u https://doi.org/10.1016/j.elspec.2021.147061
8564 u https://uu.diva-portal.org/smash/get/diva2:1569948/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-195251
8564 8u https://doi.org/10.1016/j.elspec.2021.147061
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-446191

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