{"id":"W1802704498","doi":"10.1063/1.4932539","title":"Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures","year":2015,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":97,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Electronic structure; Electron; Chemistry; Chemical species; Fukui function; Chemical reaction; Thermodynamics; Condensed matter physics; Physics; Quantum mechanics; Computational chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001160206,0.000745159,0.0007602159,0.001597935,0.00078672,0.001951064,0.00184009,0.001134671,0.002543651],"category_scores_gemma":[0.002911181,0.0003434869,0.0008140319,0.0007580214,0.008197089,0.004816232,0.002148168,0.003704454,0.0004925907],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008468876,"about_ca_system_score_gemma":0.000651289,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007904081,"about_ca_topic_score_gemma":0.0006010346,"domain_scores_codex":[0.9991564,0.0001827033,0.000050262,0.0002033809,0.0002943999,0.0001128755],"domain_scores_gemma":[0.9981877,0.0008650345,0.0002615602,0.000304386,0.0002576156,0.0001236789],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00001143542,0.00001543139,0.0002347066,0.0001235154,0.00001182841,0.0001081898,0.000183432,0.008313684,0.004335837,0.9813943,0.0003024444,0.004965191],"study_design_scores_gemma":[0.000005127189,0.00004272909,0.000698259,0.00005100972,0.000007457292,0.0002132969,0.00007987992,0.02174054,0.001932523,0.9689913,0.006195567,0.00004218696],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2513343,0.01358413,0.6207135,0.004305588,0.001594608,0.00008914504,0.0005316618,0.0003065052,0.1075405],"genre_scores_gemma":[0.9283485,0.002861467,0.05878796,0.0006311642,0.0008330891,0.0001496707,0.0001363412,0.0002266169,0.008025183],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002543651,"threshold_uncertainty_score":0.008509398,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01444179133524055,"score_gpt":0.2369959290470786,"score_spread":0.2225541377118381,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}