Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2117757817', 'doi': 'https://doi.org/10.1002/qua.20379', 'title': 'Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study', 'display_name': 'Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study', 'publication_year': 2004, 'publication_date': '2004-11-23', 'ids': {'openalex': 'https://openalex.org/W2117757817', 'doi': 'https://doi.org/10.1002/qua.20379', 'mag': '2117757817'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/qua.20379', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S167203149', 'display_name': 'International Journal of Quantum Chemistry', 'issn_l': '0020-7608', 'issn': ['0020-7608', '1097-461X'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320595', 'host_organization_name': 'Wiley', 'host_organization_lineage': ['https://openalex.org/P4310320595'], 'host_organization_lineage_names': ['Wiley'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5008419712', 'display_name': 'Vasilios I. Teberekidis', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I21370196', 'display_name': 'Aristotle University of Thessaloniki', 'ror': 'https://ror.org/02j61yw88', 'country_code': 'GR', 'type': 'education', 'lineage': ['https://openalex.org/I21370196']}], 'countries': ['GR'], 'is_corresponding': True, 'raw_author_name': 'Vasilios I. Teberekidis', 'raw_affiliation_strings': ['Department of Chemistry, Laboratory of Applied Quantum Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Laboratory of Applied Quantum Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece', 'institution_ids': ['https://openalex.org/I21370196']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5025775993', 'display_name': 'Ioannis S. K. Kerkines', 'orcid': 'https://orcid.org/0000-0002-9483-8327'}, 'institutions': [{'id': 'https://openalex.org/I200777214', 'display_name': 'National and Kapodistrian University of Athens', 'ror': 'https://ror.org/04gnjpq42', 'country_code': 'GR', 'type': 'education', 'lineage': ['https://openalex.org/I200777214']}], 'countries': ['GR'], 'is_corresponding': True, 'raw_author_name': 'Ioannis S. K. Kerkines', 'raw_affiliation_strings': ['Department of Chemistry, Laboratory of Physical Chemistry, National and Kapodistrian University of Athens, P.O. Box 64 004, 15710 Zografou, Athens, Greece'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Laboratory of Physical Chemistry, National and Kapodistrian University of Athens, P.O. Box 64 004, 15710 Zografou, Athens, Greece', 'institution_ids': ['https://openalex.org/I200777214']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5051390224', 'display_name': 'Constantinos A. Tsipis', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I21370196', 'display_name': 'Aristotle University of Thessaloniki', 'ror': 'https://ror.org/02j61yw88', 'country_code': 'GR', 'type': 'education', 'lineage': ['https://openalex.org/I21370196']}], 'countries': ['GR'], 'is_corresponding': True, 'raw_author_name': 'Constantinos A. Tsipis', 'raw_affiliation_strings': ['Department of Chemistry, Laboratory of Applied Quantum Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Laboratory of Applied Quantum Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece', 'institution_ids': ['https://openalex.org/I21370196']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5026760953', 'display_name': 'Petr Čárský', 'orcid': 'https://orcid.org/0000-0002-3632-9276'}, 'institutions': [{'id': 'https://openalex.org/I4210127897', 'display_name': 'Czech Academy of Sciences, J. Heyrovský Institute of Physical Chemistry', 'ror': 'https://ror.org/02sat5y74', 'country_code': 'CZ', 'type': 'facility', 'lineage': ['https://openalex.org/I202391551', 'https://openalex.org/I4210127897']}], 'countries': ['CZ'], 'is_corresponding': True, 'raw_author_name': 'Petr Čársky', 'raw_affiliation_strings': ['J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 182 23 Prague 8, Czech Republic'], 'affiliations': [{'raw_affiliation_string': 'J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 182 23 Prague 8, Czech Republic', 'institution_ids': ['https://openalex.org/I4210127897']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5028054457', 'display_name': 'Aristides Mavridis', 'orcid': 'https://orcid.org/0000-0003-1342-696X'}, 'institutions': [{'id': 'https://openalex.org/I200777214', 'display_name': 'National and Kapodistrian University of Athens', 'ror': 'https://ror.org/04gnjpq42', 'country_code': 'GR', 'type': 'education', 'lineage': ['https://openalex.org/I200777214']}], 'countries': ['GR'], 'is_corresponding': True, 'raw_author_name': 'Aristides Mavridis', 'raw_affiliation_strings': ['Department of Chemistry, Laboratory of Physical Chemistry, National and Kapodistrian University of Athens, P.O. Box 64 004, 15710 Zografou, Athens, Greece'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Laboratory of Physical Chemistry, National and Kapodistrian University of Athens, P.O. Box 64 004, 15710 Zografou, Athens, Greece', 'institution_ids': ['https://openalex.org/I200777214']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 3, 'corresponding_author_ids': ['https://openalex.org/A5008419712', 'https://openalex.org/A5025775993', 'https://openalex.org/A5051390224', 'https://openalex.org/A5026760953', 'https://openalex.org/A5028054457'], 'corresponding_institution_ids': ['https://openalex.org/I21370196', 'https://openalex.org/I200777214', 'https://openalex.org/I21370196', 'https://openalex.org/I4210127897', 'https://openalex.org/I200777214'], 'apc_list': {'value': 4330, 'currency': 'USD', 'value_usd': 4330, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 0.786, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 20, 'citation_normalized_percentile': {'value': 0.699352, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 86, 'max': 87}, 'biblio': {'volume': '102', 'issue': '5', 'first_page': '762', 'last_page': '774'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10002', 'display_name': 'Advancements in Density Functional Theory', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/3107', 'display_name': 'Atomic and Molecular Physics, and Optics'}, 'field': {'id': 'https://openalex.org/fields/31', 'display_name': 'Physics and Astronomy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10002', 'display_name': 'Advancements in Density Functional Theory', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/3107', 'display_name': 'Atomic and Molecular Physics, and Optics'}, 'field': {'id': 'https://openalex.org/fields/31', 'display_name': 'Physics and Astronomy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T12491', 'display_name': 'Superconductivity in Magnesium Diboride (MgB2)', 'score': 0.9996, 'subfield': {'id': 'https://openalex.org/subfields/3104', 'display_name': 'Condensed Matter Physics'}, 'field': {'id': 'https://openalex.org/fields/31', 'display_name': 'Physics and Astronomy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T12557', 'display_name': 'Synthesis and Properties of Inorganic Cluster Compounds', 'score': 0.9991, 'subfield': {'id': 'https://openalex.org/subfields/1604', 'display_name': 'Inorganic Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/multireference-configuration-interaction', 'display_name': 'Multireference configuration interaction', 'score': 0.91471004}, {'id': 'https://openalex.org/keywords/coupled-cluster', 'display_name': 'Coupled cluster', 'score': 0.82069564}, {'id': 'https://openalex.org/keywords/metallic-cluster-complexes', 'display_name': 'Metallic Cluster Complexes', 'score': 0.505688}, {'id': 'https://openalex.org/keywords/full-configuration-interaction', 'display_name': 'Full configuration interaction', 'score': 0.4204669}], 'concepts': [{'id': 'https://openalex.org/C101848323', 'wikidata': 'https://www.wikidata.org/wiki/Q1106636', 'display_name': 'Multireference configuration interaction', 'level': 4, 'score': 0.91471004}, {'id': 'https://openalex.org/C19637589', 'wikidata': 'https://www.wikidata.org/wiki/Q1117940', 'display_name': 'Coupled cluster', 'level': 3, 'score': 0.82069564}, {'id': 'https://openalex.org/C65956243', 'wikidata': 'https://www.wikidata.org/wiki/Q2664086', 'display_name': 'Basis set', 'level': 3, 'score': 0.64476585}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.63413787}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.51878095}, {'id': 'https://openalex.org/C69523127', 'wikidata': 'https://www.wikidata.org/wiki/Q4480008', 'display_name': 'Ground state', 'level': 2, 'score': 0.47778448}, {'id': 'https://openalex.org/C127765767', 'wikidata': 'https://www.wikidata.org/wiki/Q3754227', 'display_name': 'Full configuration interaction', 'level': 4, 'score': 0.4204669}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.3362006}, {'id': 'https://openalex.org/C2777529809', 'wikidata': 'https://www.wikidata.org/wiki/Q900672', 'display_name': 'Configuration interaction', 'level': 3, 'score': 0.32209355}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.26747447}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.26439288}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.19433469}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/qua.20379', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S167203149', 'display_name': 'International Journal of Quantum Chemistry', 'issn_l': '0020-7608', 'issn': ['0020-7608', '1097-461X'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320595', 'host_organization_name': 'Wiley', 'host_organization_lineage': ['https://openalex.org/P4310320595'], 'host_organization_lineage_names': ['Wiley'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 37, 'referenced_works': ['https://openalex.org/W1599233088', 'https://openalex.org/W1648115719', 'https://openalex.org/W1967868059', 'https://openalex.org/W1972878265', 'https://openalex.org/W1974965410', 'https://openalex.org/W1974985964', 'https://openalex.org/W1979099505', 'https://openalex.org/W1980780902', 'https://openalex.org/W1981343761', 'https://openalex.org/W1987053183', 'https://openalex.org/W1993077801', 'https://openalex.org/W2001164594', 'https://openalex.org/W2010336761', 'https://openalex.org/W2011328213', 'https://openalex.org/W2012458244', 'https://openalex.org/W2017894817', 'https://openalex.org/W2021527203', 'https://openalex.org/W2029760618', 'https://openalex.org/W2043019231', 'https://openalex.org/W2047516060', 'https://openalex.org/W2050923266', 'https://openalex.org/W2057694194', 'https://openalex.org/W2069006374', 'https://openalex.org/W2070368599', 'https://openalex.org/W2072337456', 'https://openalex.org/W2081119579', 'https://openalex.org/W2087531216', 'https://openalex.org/W2088569943', 'https://openalex.org/W2090048389', 'https://openalex.org/W2090600470', 'https://openalex.org/W2092930273', 'https://openalex.org/W2106887595', 'https://openalex.org/W2109931506', 'https://openalex.org/W2121288930', 'https://openalex.org/W2138519194', 'https://openalex.org/W2950692345', 'https://openalex.org/W2952947216'], 'related_works': ['https://openalex.org/W2145873562', 'https://openalex.org/W2092263121', 'https://openalex.org/W2086863707', 'https://openalex.org/W2083940276', 'https://openalex.org/W2057270312', 'https://openalex.org/W2047523941', 'https://openalex.org/W2014240026', 'https://openalex.org/W2002458791', 'https://openalex.org/W1999536338', 'https://openalex.org/W1965177862'], 'abstract_inverted_index': {'Abstract': [0], 'The': [1, 38, 82], 'competing': [2], 'X': [3, 66], '3': [4, 67], 'Σ': [5, 9, 63, 68], '−': [6, 10, 64, 69], 'and': [7, 20, 34, 54, 114, 127], '5': [8, 62], 'states': [11], 'of': [12, 105], 'the': [13, 25, 43, 60, 102, 110, 115], 'experimentally': [14], 'unknown': [15], 'alkaline–earth': [16], 'metal': [17], 'carbides': [18], 'BeC': [19], 'MgC': [21], 'are': [22, 40, 107], 'examined': [23], 'with': [24, 51, 93], 'multireference': [26, 55, 94], 'Brillouin–Wigner': [27], 'coupled': [28], 'cluster': [29], 'method': [30, 84], 'restricted': [31], 'to': [32, 75, 90, 109, 123], 'single': [33, 53], 'double': [35], 'excitations': [36], '(MRBW‐CCSD).': [37], 'results': [39, 100], 'compared': [41], 'against': [42], 'traditional': [44], 'single‐reference': [45], 'CCSD': [46, 61], 'approach,': [47], 'as': [48, 50], 'well': [49], 'other': [52], 'methods.': [56], 'In': [57], 'both': [58, 131], 'molecules,': [59], '←': [65], 'energy': [70], 'difference': [71], 'is': [72, 118], 'underestimated,': [73], 'leading': [74, 89, 122], 'an': [76], '“erroneous”': [77], 'ground‐state': [78], 'prediction': [79], 'in': [80, 130], 'BeC.': [81], 'MRBW‐CCSD': [83], 'corrects': [85], 'this': [86], 'anomalous': [87], 'behavior,': [88], 'fair': [91], 'agreement': [92], 'configuration': [95], 'interaction': [96], '(MR‐CI)': [97], 'predictions.': [98], 'Our': [99], 'at': [101], 'highest': [103], 'levels': [104], 'theory': [106], 'extrapolated': [108], 'basis': [111], 'set': [112], 'limit,': [113], 'core/valence': [116], 'correlation': [117], 'taken': [119], 'into': [120], 'account,': [121], 'very': [124], 'accurate': [125], 'energetics': [126], 'spectroscopic': [128], 'constants': [129], 'carbides.': [132], '©': [133], '2004': [134], 'Wiley': [135], 'Periodicals,': [136], 'Inc.': [137], 'Int': [138], 'J': [139], 'Quantum': [140], 'Chem,': [141], '2005': [142]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2117757817', 'counts_by_year': [{'year': 2019, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 1}, {'year': 2012, 'cited_by_count': 3}], 'updated_date': '2024-09-25T06:47:59.389175', 'created_date': '2016-06-24'}