{"id":"W2009168234","doi":"10.1039/c0cp02871a","title":"Ground-state properties of LiH by reptation quantum Monte Carlo methods","year":2011,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Quantum Monte Carlo; Statistical physics; Reptation; Monte Carlo method; Polarizability; Tensor (intrinsic definition); Basis set; Ground state; Full configuration interaction; Physics; Field (mathematics); Basis (linear algebra); Computational chemistry; Quantum mechanics; Chemistry; Configuration interaction; Mathematics; Density functional theory; Molecule; Nuclear magnetic resonance; Statistics","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":[0.001462482,0.0004093395,0.0008102992,0.001058536,0.0009887881,0.001114619,0.001921078,0.001071455,0.005556131],"category_scores_gemma":[0.002070419,0.0004544552,0.0007562271,0.0009450458,0.0009805968,0.001289307,0.0006876051,0.000912535,0.000968551],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001608022,"about_ca_system_score_gemma":0.001487678,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007009565,"about_ca_topic_score_gemma":0.009167439,"domain_scores_codex":[0.999602,0.0001440308,0.00001461291,0.00003106845,0.0001353195,0.00007281856],"domain_scores_gemma":[0.9987375,0.0005961219,0.0001201242,0.0001946496,0.0002797683,0.00007182872],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001197193,0.0001798647,0.001775761,0.000148393,0.00006677572,0.0002429044,0.0001851834,0.8976526,0.004659478,0.0783193,0.001753596,0.01489644],"study_design_scores_gemma":[0.0000107407,0.00001290843,0.0001130231,0.000005990956,0.000004074881,0.000008503569,0.000008843552,0.9945375,0.0007800233,0.004228199,0.0002814409,0.000008693585],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.3820281,0.0005070742,0.5812831,0.0005573565,0.00008165491,0.0002623472,0.0007703852,0.001511317,0.03299868],"genre_scores_gemma":[0.8611378,0.0002576193,0.1314155,0.0002641328,0.00005745042,0.0004466648,0.000817265,0.0005878444,0.005015667],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.007009565,"threshold_uncertainty_score":0.01858711,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0267280620239538,"score_gpt":0.2639292566496221,"score_spread":0.2372011946256683,"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."}}