{"id":"W2907631569","doi":"10.1016/j.comptc.2019.01.001","title":"Pseudospectral method of solution of the Schrödinger equation for the Kratzer and pseudoharmonic potentials with nonclassical polynomials and applications to realistic diatom potentials","year":2019,"lang":"en","type":"article","venue":"Computational and Theoretical Chemistry","topic":"Quantum Mechanics and Non-Hermitian Physics","field":"Physics and Astronomy","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Eigenvalues and eigenvectors; Wave function; Schrödinger equation; Hamiltonian (control theory); Morse potential; Quantum mechanics; Diatomic molecule; Eigenfunction; Basis function; Quantum; Hamiltonian matrix; Potential energy; Chemistry; Physics; Mathematics; Molecule; Symmetric matrix","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0009840843,0.0007740408,0.0008361401,0.001071276,0.0009284269,0.001274525,0.001855138,0.001667607,0.00731498],"category_scores_gemma":[0.002062762,0.000430249,0.0008371359,0.0009410246,0.001409976,0.001918007,0.001604737,0.001474055,0.00123292],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005727316,"about_ca_system_score_gemma":0.001407102,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001759061,"about_ca_topic_score_gemma":0.002141723,"domain_scores_codex":[0.9994855,0.0002681195,0.0000196075,0.00003103335,0.0001559495,0.00003975898],"domain_scores_gemma":[0.9990954,0.0003900424,0.00005510234,0.0001249201,0.0002538448,0.00008067481],"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":[0.0000748958,0.0001920669,0.0003161457,0.0002057562,0.00003926099,0.000235508,0.0001530717,0.1286956,0.00390555,0.8418033,0.001993755,0.02238514],"study_design_scores_gemma":[0.00002150541,0.00002289669,0.00008789261,0.00001380131,0.000004033201,0.00005539586,0.00002380046,0.9390151,0.0004661201,0.05881678,0.001456714,0.00001602728],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.04670846,0.0006325015,0.9255526,0.0005779084,0.0003233892,0.0001387292,0.0001203742,0.0001624277,0.02578363],"genre_scores_gemma":[0.4293775,0.001373128,0.5233949,0.0005360257,0.0004279686,0.0007377633,0.00037112,0.0005709952,0.04321062],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00731498,"threshold_uncertainty_score":0.02447104,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008818985281650362,"score_gpt":0.2566325154399609,"score_spread":0.2478135301583105,"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."}}