{"id":"W4206531892","doi":"10.1063/5.0078770","title":"Ground state of asymmetric tops with DMRG: Water in one dimension","year":2022,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Quantum many-body systems","field":"Physics and Astronomy","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canada Foundation for Innovation","keywords":"Quantum entanglement; Density matrix renormalization group; Ground state; Matrix product state; Physics; Quantum mechanics; Von Neumann entropy; Statistical physics; Density matrix; Dipole; Wave function; Matrix multiplication; Renormalization group; Quantum","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004644738,0.0001017895,0.0002928671,0.0000524829,0.00004063436,0.000009214237,0.0002633679,0.00000841152,0.00004187352],"category_scores_gemma":[0.000002238851,0.00005797877,0.00007804126,0.0003068004,0.00005968773,0.000107037,0.0001263476,0.0004133494,0.000003427699],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000054415,"about_ca_system_score_gemma":0.00003592062,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007335664,"about_ca_topic_score_gemma":1.52761e-7,"domain_scores_codex":[0.9988021,0.0001096136,0.0003835221,0.00007090173,0.0004518501,0.0001820176],"domain_scores_gemma":[0.9992664,0.0001098843,0.0003262082,0.0001719105,0.00008416068,0.00004141503],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0008034806,0.001266277,0.005720256,0.00005707876,0.0003131798,0.00001097401,0.003450614,0.00550153,0.9706809,0.00462615,0.0003462156,0.007223357],"study_design_scores_gemma":[0.001726571,0.0004042193,0.000649706,0.00006363819,0.0001019868,0.00001894959,0.0004555467,0.001329008,0.9524624,0.04234421,0.0002440162,0.0001997597],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986098,0.00003120577,0.0006246487,0.0001161614,0.00006393316,0.00008745942,0.000006323594,0.000002354278,0.0004581483],"genre_scores_gemma":[0.9996703,8.284002e-7,0.00005434319,0.00002083872,0.0001913995,0.000002366559,0.000004319781,0.00001594113,0.00003965244],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03771806,"threshold_uncertainty_score":0.2364306,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.012161852216379,"score_gpt":0.2134510291774128,"score_spread":0.2012891769610338,"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."}}