{"id":"https://openalex.org/W157757148","doi":"https://doi.org/10.1007/978-3-319-02165-2_8","title":"Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor From Massively Parallel Ab Initio Calculations","display_name":"Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor From Massively Parallel Ab Initio Calculations","publication_year":2013,"publication_date":"2013-01-01","ids":{"openalex":"https://openalex.org/W157757148","doi":"https://doi.org/10.1007/978-3-319-02165-2_8","mag":"157757148"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-319-02165-2_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-02165-2_8","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Performance Computing in Science and Engineering \u201813","raw_type":"book-chapter"},"type":"book-chapter","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084118149","display_name":"A. Riefer","orcid":"https://orcid.org/0000-0003-3956-5896"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"A. Riefer","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003518701","display_name":"M. Rohrm\u00fcller","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"M. Rohrm\u00fcller","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045887239","display_name":"M. Landmann","orcid":"https://orcid.org/0000-0003-3348-0656"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"M. Landmann","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014829657","display_name":"Simone Sanna","orcid":"https://orcid.org/0000-0003-4416-0252"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"S. Sanna","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088358078","display_name":"E. Rauls","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"E. Rauls","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069787325","display_name":"N. J. Vollmers","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"N. J. Vollmers","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054820454","display_name":"R. H\u00f6lscher","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"R. H\u00f6lscher","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045667853","display_name":"Matthias Witte","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"M. Witte","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102871519","display_name":"Yanlu Li","orcid":"https://orcid.org/0000-0002-1983-0368"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Y. Li","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049468136","display_name":"U. Gerstmann","orcid":"https://orcid.org/0000-0002-4476-223X"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"U. Gerstmann","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059346744","display_name":"Arno Schindlmayr","orcid":"https://orcid.org/0000-0002-4855-071X"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"A. Schindlmayr","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071311557","display_name":"W. G. Schmidt","orcid":"https://orcid.org/0000-0002-2717-5076"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"W. G. Schmidt","raw_affiliation_strings":["Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany"],"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Theoretische Physik, Universit\u00e4t Paderborn, 33095, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5084118149"],"corresponding_institution_ids":["https://openalex.org/I206945453"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.05527211,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"93","last_page":"104"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12155","display_name":"Microwave Dielectric Ceramics Synthesis","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10886","display_name":"Multiferroics and related materials","score":0.9983999729156494,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/polarizability","display_name":"Polarizability","score":0.8842382431030273},{"id":"https://openalex.org/keywords/tensor","display_name":"Tensor (intrinsic definition)","score":0.5296753644943237},{"id":"https://openalex.org/keywords/random-phase-approximation","display_name":"Random phase approximation","score":0.5012423992156982},{"id":"https://openalex.org/keywords/quasiparticle","display_name":"Quasiparticle","score":0.49868202209472656},{"id":"https://openalex.org/keywords/oscillator-strength","display_name":"Oscillator strength","score":0.4788208603858948},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.4622912108898163},{"id":"https://openalex.org/keywords/dielectric","display_name":"Dielectric","score":0.4604732394218445},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.44212624430656433},{"id":"https://openalex.org/keywords/lithium-niobate","display_name":"Lithium niobate","score":0.4394320547580719},{"id":"https://openalex.org/keywords/ab-initio-quantum-chemistry-methods","display_name":"Ab initio quantum chemistry methods","score":0.4303893446922302},{"id":"https://openalex.org/keywords/condensed-matter-physics","display_name":"Condensed matter physics","score":0.4105674922466278},{"id":"https://openalex.org/keywords/molecular-physics","display_name":"Molecular physics","score":0.3637159764766693},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.34178072214126587},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3366800546646118},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.33588162064552307},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1018904447555542}],"concepts":[{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.8842382431030273},{"id":"https://openalex.org/C155281189","wikidata":"https://www.wikidata.org/wiki/Q3518150","display_name":"Tensor (intrinsic definition)","level":2,"score":0.5296753644943237},{"id":"https://openalex.org/C138309006","wikidata":"https://www.wikidata.org/wiki/Q901387","display_name":"Random phase approximation","level":2,"score":0.5012423992156982},{"id":"https://openalex.org/C136479403","wikidata":"https://www.wikidata.org/wiki/Q1047683","display_name":"Quasiparticle","level":3,"score":0.49868202209472656},{"id":"https://openalex.org/C99191460","wikidata":"https://www.wikidata.org/wiki/Q906725","display_name":"Oscillator strength","level":3,"score":0.4788208603858948},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4622912108898163},{"id":"https://openalex.org/C133386390","wikidata":"https://www.wikidata.org/wiki/Q184996","display_name":"Dielectric","level":2,"score":0.4604732394218445},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.44212624430656433},{"id":"https://openalex.org/C2777207636","wikidata":"https://www.wikidata.org/wiki/Q424481","display_name":"Lithium niobate","level":2,"score":0.4394320547580719},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.4303893446922302},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.4105674922466278},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3637159764766693},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.34178072214126587},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3366800546646118},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.33588162064552307},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1018904447555542},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.0},{"id":"https://openalex.org/C54101563","wikidata":"https://www.wikidata.org/wiki/Q124131","display_name":"Superconductivity","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-319-02165-2_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-02165-2_8","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Performance Computing in Science and Engineering \u201813","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W613065981","https://openalex.org/W1652929146","https://openalex.org/W1964734223","https://openalex.org/W1972249811","https://openalex.org/W1974614835","https://openalex.org/W1979544533","https://openalex.org/W1987902289","https://openalex.org/W1998866028","https://openalex.org/W2000605735","https://openalex.org/W2000785214","https://openalex.org/W2005113034","https://openalex.org/W2006102265","https://openalex.org/W2007395042","https://openalex.org/W2011327487","https://openalex.org/W2013530408","https://openalex.org/W2013862431","https://openalex.org/W2014094922","https://openalex.org/W2018416756","https://openalex.org/W2019905881","https://openalex.org/W2024046694","https://openalex.org/W2024592997","https://openalex.org/W2042005636","https://openalex.org/W2052380206","https://openalex.org/W2055222955","https://openalex.org/W2058058701","https://openalex.org/W2059510387","https://openalex.org/W2060511351","https://openalex.org/W2061222457","https://openalex.org/W2062745183","https://openalex.org/W2062788479","https://openalex.org/W2064585420","https://openalex.org/W2066200960","https://openalex.org/W2074586638","https://openalex.org/W2080157774","https://openalex.org/W2080976310","https://openalex.org/W2086869612","https://openalex.org/W2108321284","https://openalex.org/W2124142818","https://openalex.org/W2154349260","https://openalex.org/W2155407946","https://openalex.org/W2255653082","https://openalex.org/W2322526207","https://openalex.org/W2323014972","https://openalex.org/W2997116664","https://openalex.org/W3206606417","https://openalex.org/W4238096463","https://openalex.org/W4246189544"],"related_works":["https://openalex.org/W2058583059","https://openalex.org/W2010483131","https://openalex.org/W2010337650","https://openalex.org/W2090105050","https://openalex.org/W1973626065","https://openalex.org/W1969110970","https://openalex.org/W2019158098","https://openalex.org/W1497557056","https://openalex.org/W1992832372","https://openalex.org/W2322526207"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2017,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
