{"id":"W1937101312","doi":"10.1007/978-90-481-3862-3_4","title":"Introduction to Quantum Mechanics in Computational Chemistry","year":2010,"lang":"en","type":"book-chapter","venue":"Computational Chemistry","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"Trent University","funders":"","keywords":"Wave function; Eigenvalues and eigenvectors; Schrödinger equation; Quantum mechanics; Simple (philosophy); Wave mechanics; Bohr model; Atom (system on chip); Relativistic quantum mechanics; Quantum chemistry; Physics; Chemistry; Quantum; Theoretical physics; Mathematical physics; Classical mechanics; Mathematics; Molecule; Quantum dynamics","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002075718,0.0008850574,0.0007229469,0.00007927595,0.0002321187,0.00007457272,0.0007515237,0.00127349,0.03702873],"category_scores_gemma":[0.0001741546,0.001166313,0.0002734893,0.0001054188,0.000184502,0.0001243321,0.0002824075,0.002312778,0.0003950858],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009305991,"about_ca_system_score_gemma":0.0005533789,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001950485,"about_ca_topic_score_gemma":0.000001499495,"domain_scores_codex":[0.9958178,0.000005560272,0.001102847,0.001516403,0.001022334,0.0005350963],"domain_scores_gemma":[0.9977023,0.0002061294,0.0005434084,0.0007580774,0.0003974361,0.0003926304],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0003694565,0.0005597647,0.00001563371,0.004578319,0.0003722225,0.0003100105,0.0002574392,0.3336971,0.6237317,0.01048446,0.02122492,0.004398973],"study_design_scores_gemma":[0.001035941,0.00001063928,0.000001858323,0.0005043329,0.00007064374,0.0001993915,0.00003793226,0.003872562,0.06324743,0.1586793,0.7706833,0.001656718],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.01292544,0.0008029845,0.01120765,0.002740381,0.001564595,0.0004890546,0.001732032,0.0008146949,0.9677232],"genre_scores_gemma":[0.03717203,0.00004340417,0.01252129,0.0004977059,0.01044727,0.0001556925,0.01376668,0.0004831836,0.9249128],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.7494584,"threshold_uncertainty_score":0.9999889,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01177774281190717,"score_gpt":0.2384783907607392,"score_spread":0.226700647948832,"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."}}