Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W1984142949', 'doi': 'https://doi.org/10.1021/jp072535l', 'title': 'Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study', 'display_name': 'Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study', 'publication_year': 2007, 'publication_date': '2007-11-01', 'ids': {'openalex': 'https://openalex.org/W1984142949', 'doi': 'https://doi.org/10.1021/jp072535l', 'mag': '1984142949', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/17973457'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/jp072535l', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S146709414', 'display_name': 'The Journal of Physical Chemistry A', 'issn_l': '1089-5639', 'issn': ['1089-5639', '1520-5215'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], '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/A5020767066', 'display_name': 'Marta Włoch', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I87216513', 'display_name': 'Michigan State University', 'ror': 'https://ror.org/05hs6h993', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I87216513']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Marta Włoch', 'raw_affiliation_strings': ['Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824'], 'affiliations': [{'raw_affiliation_string': 'Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824', 'institution_ids': ['https://openalex.org/I87216513']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5108278421', 'display_name': 'Jeffrey R. Gour', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I87216513', 'display_name': 'Michigan State University', 'ror': 'https://ror.org/05hs6h993', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I87216513']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Jeffrey R. Gour', 'raw_affiliation_strings': ['Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824'], 'affiliations': [{'raw_affiliation_string': 'Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824', 'institution_ids': ['https://openalex.org/I87216513']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5036199301', 'display_name': 'Piotr Piecuch', 'orcid': 'https://orcid.org/0000-0002-7207-1815'}, 'institutions': [{'id': 'https://openalex.org/I87216513', 'display_name': 'Michigan State University', 'ror': 'https://ror.org/05hs6h993', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I87216513']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Piotr Piecuch', 'raw_affiliation_strings': ['Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824'], 'affiliations': [{'raw_affiliation_string': 'Departments of Chemistry and Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824', 'institution_ids': ['https://openalex.org/I87216513']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 10.773, 'has_fulltext': False, 'cited_by_count': 188, 'citation_normalized_percentile': {'value': 0.961885, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 98, 'max': 99}, 'biblio': {'volume': '111', 'issue': '44', 'first_page': '11359', 'last_page': '11382'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.9999, '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': 'Advanced Chemical Physics Studies', 'score': 0.9999, '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/T11825', 'display_name': 'Catalysis and Oxidation Reactions', 'score': 0.9992, 'subfield': {'id': 'https://openalex.org/subfields/1503', 'display_name': 'Catalysis'}, 'field': {'id': 'https://openalex.org/fields/15', 'display_name': 'Chemical Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10192', 'display_name': 'Catalytic Processes in Materials Science', 'score': 0.9988, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, '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/hamiltonian', 'display_name': 'Hamiltonian (control theory)', 'score': 0.66219795}, {'id': 'https://openalex.org/keywords/coupled-cluster', 'display_name': 'Coupled cluster', 'score': 0.5501691}, {'id': 'https://openalex.org/keywords/benchmark', 'display_name': 'Benchmark (surveying)', 'score': 0.5011492}, {'id': 'https://openalex.org/keywords/similarity', 'display_name': 'Similarity (geometry)', 'score': 0.4227846}], 'concepts': [{'id': 'https://openalex.org/C130787639', 'wikidata': 'https://www.wikidata.org/wiki/Q5645293', 'display_name': 'Hamiltonian (control theory)', 'level': 2, 'score': 0.66219795}, {'id': 'https://openalex.org/C158693339', 'wikidata': 'https://www.wikidata.org/wiki/Q190524', 'display_name': 'Eigenvalues and eigenvectors', 'level': 2, 'score': 0.6413311}, {'id': 'https://openalex.org/C19637589', 'wikidata': 'https://www.wikidata.org/wiki/Q1117940', 'display_name': 'Coupled cluster', 'level': 3, 'score': 0.5501691}, {'id': 'https://openalex.org/C2778029271', 'wikidata': 'https://www.wikidata.org/wiki/Q5421931', 'display_name': 'Extension (predicate logic)', 'level': 2, 'score': 0.5369378}, {'id': 'https://openalex.org/C185798385', 'wikidata': 'https://www.wikidata.org/wiki/Q1161707', 'display_name': 'Benchmark (surveying)', 'level': 2, 'score': 0.5011492}, {'id': 'https://openalex.org/C164866538', 'wikidata': 'https://www.wikidata.org/wiki/Q367351', 'display_name': 'Cluster (spacecraft)', 'level': 2, 'score': 0.4628308}, {'id': 'https://openalex.org/C103278499', 'wikidata': 'https://www.wikidata.org/wiki/Q254465', 'display_name': 'Similarity (geometry)', 'level': 3, 'score': 0.4227846}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.42100286}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.3843377}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.3600908}, {'id': 'https://openalex.org/C37914503', 'wikidata': 'https://www.wikidata.org/wiki/Q156495', 'display_name': 'Mathematical physics', 'level': 1, 'score': 0.35179153}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.21823612}, {'id': 'https://openalex.org/C154945302', 'wikidata': 'https://www.wikidata.org/wiki/Q11660', 'display_name': 'Artificial intelligence', 'level': 1, 'score': 0.10449764}, {'id': 'https://openalex.org/C126255220', 'wikidata': 'https://www.wikidata.org/wiki/Q141495', 'display_name': 'Mathematical optimization', 'level': 1, 'score': 0.10367793}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C199360897', 'wikidata': 'https://www.wikidata.org/wiki/Q9143', 'display_name': 'Programming language', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C13280743', 'wikidata': 'https://www.wikidata.org/wiki/Q131089', 'display_name': 'Geodesy', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C115961682', 'wikidata': 'https://www.wikidata.org/wiki/Q860623', 'display_name': 'Image (mathematics)', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C205649164', 'wikidata': 'https://www.wikidata.org/wiki/Q1071', 'display_name': 'Geography', 'level': 0, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/jp072535l', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S146709414', 'display_name': 'The Journal of Physical Chemistry A', 'issn_l': '1089-5639', 'issn': ['1089-5639', '1520-5215'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/17973457', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, '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': 156, 'referenced_works': ['https://openalex.org/W10093367', 'https://openalex.org/W1486103950', 'https://openalex.org/W1488928844', 'https://openalex.org/W1536545035', 'https://openalex.org/W1584675441', 'https://openalex.org/W158727735', 'https://openalex.org/W1592012923', 'https://openalex.org/W1597318091', 'https://openalex.org/W1708984004', 'https://openalex.org/W174304225', 'https://openalex.org/W1892795130', 'https://openalex.org/W1964097191', 'https://openalex.org/W1966708576', 'https://openalex.org/W1968371739', 'https://openalex.org/W1970162307', 'https://openalex.org/W1971275758', 'https://openalex.org/W1971361039', 'https://openalex.org/W1971387664', 'https://openalex.org/W1972057083', 'https://openalex.org/W1973357698', 'https://openalex.org/W1975708211', 'https://openalex.org/W1976494177', 'https://openalex.org/W1976828279', 'https://openalex.org/W1978455437', 'https://openalex.org/W1980739948', 'https://openalex.org/W1980780902', 'https://openalex.org/W1982274673', 'https://openalex.org/W1983580579', 'https://openalex.org/W1984139317', 'https://openalex.org/W1985175271', 'https://openalex.org/W1985538075', 'https://openalex.org/W1986464095', 'https://openalex.org/W1987489232', 'https://openalex.org/W1991237205', 'https://openalex.org/W1993077801', 'https://openalex.org/W1994298443', 'https://openalex.org/W1995204673', 'https://openalex.org/W1996144985', 'https://openalex.org/W1997641598', 'https://openalex.org/W1999144013', 'https://openalex.org/W1999909403', 'https://openalex.org/W2001595895', 'https://openalex.org/W2003320348', 'https://openalex.org/W2005207642', 'https://openalex.org/W2006871444', 'https://openalex.org/W2007145268', 'https://openalex.org/W2008574377', 'https://openalex.org/W2010764571', 'https://openalex.org/W2011079470', 'https://openalex.org/W2011131906', 'https://openalex.org/W2011188705', 'https://openalex.org/W2011491237', 'https://openalex.org/W2011806710', 'https://openalex.org/W2012458244', 'https://openalex.org/W2012778107', 'https://openalex.org/W2013183108', 'https://openalex.org/W2014454702', 'https://openalex.org/W2015815803', 'https://openalex.org/W2016227906', 'https://openalex.org/W2016407890', 'https://openalex.org/W2016956079', 'https://openalex.org/W2017894817', 'https://openalex.org/W2018573049', 'https://openalex.org/W2020196794', 'https://openalex.org/W2022591290', 'https://openalex.org/W2022950330', 'https://openalex.org/W2024044281', 'https://openalex.org/W2025461559', 'https://openalex.org/W2025975997', 'https://openalex.org/W2026774537', 'https://openalex.org/W2026945649', 'https://openalex.org/W2031856796', 'https://openalex.org/W2032436962', 'https://openalex.org/W2034081343', 'https://openalex.org/W2034280248', 'https://openalex.org/W2036032342', 'https://openalex.org/W2036377383', 'https://openalex.org/W2037768897', 'https://openalex.org/W2038189735', 'https://openalex.org/W2038451118', 'https://openalex.org/W2040012698', 'https://openalex.org/W2040671561', 'https://openalex.org/W2041192156', 'https://openalex.org/W2041929929', 'https://openalex.org/W2043136861', 'https://openalex.org/W2043325406', 'https://openalex.org/W2043673806', 'https://openalex.org/W2045903644', 'https://openalex.org/W2046002177', 'https://openalex.org/W2046197522', 'https://openalex.org/W2046412723', 'https://openalex.org/W2047820831', 'https://openalex.org/W2049907997', 'https://openalex.org/W2050711122', 'https://openalex.org/W2051096639', 'https://openalex.org/W2052332029', 'https://openalex.org/W2056160793', 'https://openalex.org/W2056242144', 'https://openalex.org/W2056370707', 'https://openalex.org/W2056513313', 'https://openalex.org/W2057262256', 'https://openalex.org/W2058455187', 'https://openalex.org/W2061375271', 'https://openalex.org/W2062340785', 'https://openalex.org/W2063020432', 'https://openalex.org/W2066481445', 'https://openalex.org/W2069006374', 'https://openalex.org/W2069249802', 'https://openalex.org/W2069328192', 'https://openalex.org/W2069736521', 'https://openalex.org/W2073024180', 'https://openalex.org/W2074778154', 'https://openalex.org/W2078058842', 'https://openalex.org/W2078750907', 'https://openalex.org/W2079790823', 'https://openalex.org/W2080784533', 'https://openalex.org/W2081595527', 'https://openalex.org/W2082704099', 'https://openalex.org/W2082932208', 'https://openalex.org/W2083986062', 'https://openalex.org/W2085974151', 'https://openalex.org/W2087030874', 'https://openalex.org/W2087143796', 'https://openalex.org/W2087351734', 'https://openalex.org/W2087606355', 'https://openalex.org/W2090146384', 'https://openalex.org/W2092930273', 'https://openalex.org/W2093226607', 'https://openalex.org/W2093922597', 'https://openalex.org/W2094642658', 'https://openalex.org/W2095228932', 'https://openalex.org/W2098221680', 'https://openalex.org/W2100456799', 'https://openalex.org/W2106692395', 'https://openalex.org/W2109931506', 'https://openalex.org/W2116493326', 'https://openalex.org/W2119954949', 'https://openalex.org/W2119956272', 'https://openalex.org/W2124948907', 'https://openalex.org/W2135249818', 'https://openalex.org/W2144643173', 'https://openalex.org/W2155714916', 'https://openalex.org/W2161713159', 'https://openalex.org/W2174060224', 'https://openalex.org/W2287941561', 'https://openalex.org/W2331073335', 'https://openalex.org/W2476635562', 'https://openalex.org/W2488193517', 'https://openalex.org/W2496044214', 'https://openalex.org/W2497215776', 'https://openalex.org/W2615628172', 'https://openalex.org/W4252598364', 'https://openalex.org/W4285719527', 'https://openalex.org/W50122171', 'https://openalex.org/W568308206', 'https://openalex.org/W67788537'], 'related_works': ['https://openalex.org/W3022218857', 'https://openalex.org/W2370289839', 'https://openalex.org/W2369178846', 'https://openalex.org/W2082716031', 'https://openalex.org/W2077521056', 'https://openalex.org/W2075768550', 'https://openalex.org/W2064819868', 'https://openalex.org/W2063161885', 'https://openalex.org/W2043673806', 'https://openalex.org/W1989676771'], 'abstract_inverted_index': {'The': [0], 'recently': [1], 'formulated': [2], 'completely': [3], 'renormalized': [4], 'coupled-cluster': [5, 23, 106], 'method': [6, 19, 101, 158], 'with': [7], 'singles,': [8], 'doubles,': [9], 'and': [10, 66, 69, 76, 102, 131, 134, 141], 'noniterative': [11, 104], 'triples,': [12], 'exploiting': [13], 'the': [14, 18, 63, 67, 73, 82, 86, 97, 110, 120, 124, 135, 139, 149, 152, 157, 162], 'biorthogonal': [15], 'form': [16], 'of': [17, 20, 22, 123, 138, 151, 159, 161], 'moments': [21], 'equations': [24], '(Piecuch,': [25], 'P.;': [26, 36], 'Włoch,': [27, 37], 'M.': [28], 'J.': [29, 40], 'Chem.': [30, 44], 'Phys.': [31, 45], '2005,': [32], '123,': [33], '224105;': [34], 'Piecuch,': [35], 'M.;': [38], 'Gour,': [39], 'R.;': [41], 'Kinal,': [42], 'A.': [43], 'Lett.': [46], '2006,': [47], '418,': [48], '467),': [49], 'termed': [50], 'CR-CC(2,3),': [51], 'is': [52, 92], 'extended': [53], 'to': [54, 146], 'open-shell': [55, 88], 'systems.': [56], 'Test': [57], 'calculations': [58, 111], 'for': [59, 166], 'bond': [60], 'breaking': [61], 'in': [62, 72], 'OH': [64], 'radical': [65], 'ion': [68], 'singlet−triplet': [70], 'gaps': [71], 'CH2,': [74], 'HHeH,': [75], '(HFH)-': [77], 'biradical': [78], 'systems': [79], 'indicate': [80], 'that': [81, 148], 'CR-CC(2,3)': [83, 154], 'approach': [84], 'employing': [85], 'restricted': [87], 'Hartree−Fock': [89], '(ROHF)': [90], 'reference': [91], 'significantly': [93], 'more': [94, 113], 'accurate': [95], 'than': [96], 'widely': [98], 'used': [99, 145], 'CCSD(T)': [100], 'other': [103], 'triples': [105], 'approximations': [107], 'without': [108], 'making': [109], 'substantially': [112], 'expensive.': [114], 'A': [115], 'few': [116], 'molecular': [117], 'examples,': [118], 'including': [119], 'activation': [121], 'energies': [122, 155], 'C2H4': [125], '+': [126], 'H': [127], '→': [128], 'C2H5': [129], 'forward': [130], 'reverse': [132], 'reactions': [133], 'triplet': [136], 'states': [137], 'CH2': [140], 'H2Si2O2': [142], 'biradicals,': [143], 'are': [144], 'show': [147], 'dependence': [150], 'ROHF-based': [153], 'on': [156], 'canonicalization': [160], 'ROHF': [163], 'orbitals': [164], 'is,': [165], 'all': [167], 'practical': [168], 'purposes,': [169], 'negligible.': [170]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W1984142949', 'counts_by_year': [{'year': 2024, 'cited_by_count': 6}, {'year': 2023, 'cited_by_count': 11}, {'year': 2022, 'cited_by_count': 4}, {'year': 2021, 'cited_by_count': 7}, {'year': 2020, 'cited_by_count': 8}, {'year': 2019, 'cited_by_count': 6}, {'year': 2018, 'cited_by_count': 6}, {'year': 2017, 'cited_by_count': 8}, {'year': 2016, 'cited_by_count': 12}, {'year': 2015, 'cited_by_count': 8}, {'year': 2014, 'cited_by_count': 8}, {'year': 2013, 'cited_by_count': 9}, {'year': 2012, 'cited_by_count': 17}], 'updated_date': '2024-12-25T05:14:31.293357', 'created_date': '2016-06-24'}