Publication Information

{'id': 'https://openalex.org/W2327394219', 'doi': 'https://doi.org/10.1021/ct200106a', 'title': 'Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions', 'display_name': 'Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions', 'publication_year': 2011, 'publication_date': '2011-08-05', 'ids': {'openalex': 'https://openalex.org/W2327394219', 'doi': 'https://doi.org/10.1021/ct200106a', 'mag': '2327394219', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/26598144'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ct200106a', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S189701308', 'display_name': 'Journal of Chemical Theory and Computation', 'issn_l': '1549-9618', 'issn': ['1549-9618', '1549-9626'], '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/A5072824941', 'display_name': 'Ewa Papajak', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I130238516', 'display_name': 'University of Minnesota', 'ror': 'https://ror.org/017zqws13', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I130238516']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Ewa Papajak', 'raw_affiliation_strings': ['Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States', 'institution_ids': ['https://openalex.org/I130238516']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5046558488', 'display_name': 'Jingjing Zheng', 'orcid': 'https://orcid.org/0000-0003-3323-8157'}, 'institutions': [{'id': 'https://openalex.org/I130238516', 'display_name': 'University of Minnesota', 'ror': 'https://ror.org/017zqws13', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I130238516']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Jingjing Zheng', 'raw_affiliation_strings': ['Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States', 'institution_ids': ['https://openalex.org/I130238516']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5067333581', 'display_name': 'Xuefei Xu', 'orcid': 'https://orcid.org/0000-0002-2009-0483'}, 'institutions': [{'id': 'https://openalex.org/I130238516', 'display_name': 'University of Minnesota', 'ror': 'https://ror.org/017zqws13', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I130238516']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Xuefei Xu', 'raw_affiliation_strings': ['Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States', 'institution_ids': ['https://openalex.org/I130238516']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5036262610', 'display_name': 'Hannah R. Leverentz', 'orcid': 'https://orcid.org/0000-0002-8037-4306'}, 'institutions': [{'id': 'https://openalex.org/I130238516', 'display_name': 'University of Minnesota', 'ror': 'https://ror.org/017zqws13', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I130238516']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Hannah R. Leverentz', 'raw_affiliation_strings': ['Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States', 'institution_ids': ['https://openalex.org/I130238516']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5061717048', 'display_name': 'Donald G. Truhlar', 'orcid': 'https://orcid.org/0000-0002-7742-7294'}, 'institutions': [{'id': 'https://openalex.org/I130238516', 'display_name': 'University of Minnesota', 'ror': 'https://ror.org/017zqws13', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I130238516']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Donald G. Truhlar', 'raw_affiliation_strings': ['Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States', 'institution_ids': ['https://openalex.org/I130238516']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 7.501, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 656, 'citation_normalized_percentile': {'value': 0.999952, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 99, 'max': 100}, 'biblio': {'volume': '7', 'issue': '10', 'first_page': '3027', 'last_page': '3034'}, '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/T12748', 'display_name': 'Molecular spectroscopy and chirality', 'score': 0.9968, 'subfield': {'id': 'https://openalex.org/subfields/1607', 'display_name': 'Spectroscopy'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10798', 'display_name': 'Crystallography and molecular interactions', 'score': 0.9955, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical 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/basis', 'display_name': 'Basis (linear algebra)', 'score': 0.66961765}], 'concepts': [{'id': 'https://openalex.org/C126061179', 'wikidata': 'https://www.wikidata.org/wiki/Q189627', 'display_name': 'van der Waals force', 'level': 3, 'score': 0.75077444}, {'id': 'https://openalex.org/C12426560', 'wikidata': 'https://www.wikidata.org/wiki/Q189569', 'display_name': 'Basis (linear algebra)', 'level': 2, 'score': 0.66961765}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.60319793}, {'id': 'https://openalex.org/C113603373', 'wikidata': 'https://www.wikidata.org/wiki/Q2362761', 'display_name': 'Wave function', 'level': 2, 'score': 0.51862687}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.5015192}, {'id': 'https://openalex.org/C173523689', 'wikidata': 'https://www.wikidata.org/wiki/Q215589', 'display_name': 'Dipole', 'level': 2, 'score': 0.49241698}, {'id': 'https://openalex.org/C198291218', 'wikidata': 'https://www.wikidata.org/wiki/Q190382', 'display_name': 'Ionization', 'level': 3, 'score': 0.4572669}, {'id': 'https://openalex.org/C147192597', 'wikidata': 'https://www.wikidata.org/wiki/Q483769', 'display_name': 'Ionization energy', 'level': 4, 'score': 0.4331259}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.38491938}, {'id': 'https://openalex.org/C121864883', 'wikidata': 'https://www.wikidata.org/wiki/Q677916', 'display_name': 'Statistical physics', 'level': 1, 'score': 0.3836048}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.35180393}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.33166766}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.3112404}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.20215312}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.16050798}, {'id': 'https://openalex.org/C2524010', 'wikidata': 'https://www.wikidata.org/wiki/Q8087', 'display_name': 'Geometry', 'level': 1, 'score': 0.122630775}, {'id': 'https://openalex.org/C145148216', 'wikidata': 'https://www.wikidata.org/wiki/Q36496', 'display_name': 'Ion', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ct200106a', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S189701308', 'display_name': 'Journal of Chemical Theory and Computation', 'issn_l': '1549-9618', 'issn': ['1549-9618', '1549-9626'], '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/26598144', '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': [{'display_name': 'Affordable and clean energy', 'score': 0.85, 'id': 'https://metadata.un.org/sdg/7'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 40, 'referenced_works': ['https://openalex.org/W1501761362', 'https://openalex.org/W1521857819', 'https://openalex.org/W1967177826', 'https://openalex.org/W1967437691', 'https://openalex.org/W1968951477', 'https://openalex.org/W1969994706', 'https://openalex.org/W1975373318', 'https://openalex.org/W1975515814', 'https://openalex.org/W1977955366', 'https://openalex.org/W1983416338', 'https://openalex.org/W1986026332', 'https://openalex.org/W1988091937', 'https://openalex.org/W1993077801', 'https://openalex.org/W1997401575', 'https://openalex.org/W2004027787', 'https://openalex.org/W2006434374', 'https://openalex.org/W2007521040', 'https://openalex.org/W2008628207', 'https://openalex.org/W2009846017', 'https://openalex.org/W2022272063', 'https://openalex.org/W2027208348', 'https://openalex.org/W2040195084', 'https://openalex.org/W2049996223', 'https://openalex.org/W2050952634', 'https://openalex.org/W2056526883', 'https://openalex.org/W2057673394', 'https://openalex.org/W2059421092', 'https://openalex.org/W2075109239', 'https://openalex.org/W2082009496', 'https://openalex.org/W2092745664', 'https://openalex.org/W2092930273', 'https://openalex.org/W2093711478', 'https://openalex.org/W2095326352', 'https://openalex.org/W2098632825', 'https://openalex.org/W2099625498', 'https://openalex.org/W2120215541', 'https://openalex.org/W2120317004', 'https://openalex.org/W2135506601', 'https://openalex.org/W2273928876', 'https://openalex.org/W4248583228'], 'related_works': ['https://openalex.org/W4241994605', 'https://openalex.org/W4229082226', 'https://openalex.org/W2973068978', 'https://openalex.org/W2551287940', 'https://openalex.org/W2150857911', 'https://openalex.org/W2067605632', 'https://openalex.org/W2016023420', 'https://openalex.org/W2007624894', 'https://openalex.org/W1997084402', 'https://openalex.org/W1969178306'], 'abstract_inverted_index': {'We': [0, 23, 34, 94, 140], 'present': [1], 'a': [2, 112, 233, 255], 'perspective': [3], 'on': [4, 38, 66, 75], 'the': [5, 96, 102, 120, 186, 193, 252], 'use': [6, 121], 'of': [7, 82, 85, 89, 98, 101, 119, 122, 183, 205, 235, 258, 280], 'diffuse': [8], 'basis': [9, 28, 32, 104, 128, 248, 261, 272], 'functions': [10], 'for': [11, 71, 132, 150, 201, 215, 221, 229, 243, 267, 277], 'electronic': [12, 134], 'structure': [13, 135], 'calculations': [14, 79, 279], 'by': [15], 'density': [16, 151], 'functional': [17, 152], 'theory': [18, 153, 218], 'and': [19, 30, 58, 63, 74, 84, 117, 125, 137, 166, 190, 232, 239, 283], 'wave': [20, 216], 'function': [21, 217], 'theory.': [22], 'especially': [24], 'emphasize': [25, 95], 'minimally': [26, 126], 'augmented': [27, 127, 260], 'sets': [29, 105, 129, 249, 262], 'calendar': [31, 247], 'sets.': [33], 'base': [35], 'our': [36, 39, 76], 'conclusions': [37], 'previous': [40], 'experience': [41], 'with': [42], 'commonly': [43], 'computed': [44], 'quantities,': [45], 'such': [46, 268], 'as': [47], 'bond': [48, 285], 'energies,': [49, 62, 163], 'barrier': [50, 164, 281], 'heights,': [51, 165], 'electron': [52, 160], 'affinities,': [53, 161], 'noncovalent': [54], '(van': [55], 'der': [56, 91, 207], 'Waals': [57, 92, 208], 'hydrogen': [59, 284], 'bond)': [60], 'interaction': [61], 'ionization': [64, 158], 'potentials,': [65, 159], 'Stephens': [67], 'et': [68], 'al.’s': [69], 'results': [70], 'optical': [72], 'rotation': [73], 'own': [77], 'new': [78], '(presented': [80], 'here)': [81], 'polarizabilities': [83], 'potential': [86, 202], 'energy': [87, 203], 'curves': [88, 204], 'van': [90, 206], 'complexes.': [93, 209], 'benefits': [97], 'partial': [99], 'augmentation': [100, 110, 145, 176, 225, 236], 'higher-zeta': [103], 'in': [106], 'preference': [107], 'to': [108, 157], 'full': [109, 224, 240], 'at': [111, 185, 192], 'lower': [113], 'ζ': [114], 'level.': [115, 196], 'Benefits': [116], 'limitations': [118], 'fully,': [123], 'partially,': [124], 'are': [130, 199, 212], 'reviewed': [131], 'different': [133], 'methods': [136], 'molecular': [138], 'properties.': [139], 'have': [141], 'found': [142], 'that': [143, 175, 263], 'minimal': [144, 178, 238], 'is': [146, 226, 241, 274], 'almost': [147], 'always': [148], 'enough': [149], '(DFT)': [154], 'when': [155], 'applied': [156], 'atomization': [162], 'hydrogen-bond': [167], 'energies.': [168], 'For': [169], 'electric': [170], 'dipole': [171], 'polarizabilities,': [172], 'we': [173], 'find': [174], 'beyond': [177], 'has': [179], 'an': [180], 'average': [181], 'effect': [182], '8%': [184], 'polarized': [187, 194], 'triple-ζ': [188], 'level': [189, 234], '5%': [191], 'quadruple-ζ': [195], 'The': [197, 210, 246, 270], 'effects': [198, 211], 'larger': [200, 214], 'also': [213], '(WFT).': [219], 'Even': [220], 'WFT': [222], 'though,': [223], 'not': [227], 'needed': [228], 'most': [230, 244], 'purposes,': [231], 'between': [237], 'optimal': [242], 'problems.': [245], 'named': [250], 'after': [251], 'months': [253], 'provide': [254], 'convergent': [256], 'sequence': [257], 'partially': [259], 'can': [264], 'be': [265], 'used': [266], 'calculations.': [269], 'jun-cc-pV(T+d)Z': [271], 'set': [273], 'very': [275], 'useful': [276], 'MP2-F12': [278], 'heights': [282], 'strengths.': [286]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2327394219', 'counts_by_year': [{'year': 2024, 'cited_by_count': 73}, {'year': 2023, 'cited_by_count': 99}, {'year': 2022, 'cited_by_count': 85}, {'year': 2021, 'cited_by_count': 101}, {'year': 2020, 'cited_by_count': 89}, {'year': 2019, 'cited_by_count': 52}, {'year': 2018, 'cited_by_count': 32}, {'year': 2017, 'cited_by_count': 26}, {'year': 2016, 'cited_by_count': 26}, {'year': 2015, 'cited_by_count': 20}, {'year': 2014, 'cited_by_count': 18}, {'year': 2013, 'cited_by_count': 15}, {'year': 2012, 'cited_by_count': 13}], 'updated_date': '2025-01-15T00:33:30.259619', 'created_date': '2016-06-24'}