{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,18]],"date-time":"2026-03-18T17:08:21Z","timestamp":1773853701399,"version":"3.50.1"},"reference-count":113,"publisher":"AIP Publishing","issue":"11","funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["DMR-2309083"],"award-info":[{"award-number":["DMR-2309083"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,3,21]]},"abstract":"<jats:p>The accurate modeling of non-covalent interactions between helium and graphitic materials is important for understanding quantum phenomena in reduced dimensions, with the helium\u2013benzene complex serving as the fundamental prototype. However, creating a quantitatively reliable potential energy surface (PES) for this weakly bound system remains a significant computational challenge. In this study, we present a comprehensive, multi-level investigation of the He\u2013benzene interaction, establishing benchmark energies using high-level coupled-cluster singles-and-doubles with perturbative triples [CCSD(T)] methods extrapolated to the complete basis set limit and assessing higher-order contributions. We use symmetry-adapted perturbation theory to benchmark it against CCSD(T) and to decompose the interaction into its physical components\u2014confirming it is dominated by a balance between dispersion and exchange-repulsion. A continuous, three-dimensional PES is constructed from discrete ab\u00a0initio points using multifidelity Gaussian process regression that combines density functional theory results with sparse coupled-cluster energies. The result is a highly accurate PES with sub-cm\u22121 accuracy that obeys physical laws. This new PES is applied to path integral Monte Carlo (PIMC) simulations to study the solvation of 4He atoms on benzene at low temperatures. Our PIMC results reveal qualitatively different solvation behavior, particularly in the filling of adsorption layers, when compared to simulations using commonly employed empirical Lennard-Jones potentials. This study provides a benchmark PES essential for accurate many-body simulations of helium on larger polycyclic aromatic hydrocarbons toward graphene.<\/jats:p>","DOI":"10.1063\/5.0322444","type":"journal-article","created":{"date-parts":[[2026,3,18]],"date-time":"2026-03-18T10:39:22Z","timestamp":1773830362000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Accurate helium\u2013benzene potential: From CCSD(T) to Gaussian process regression"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-2458-7407","authenticated-orcid":false,"given":"Shahzad","family":"Akram","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Tennessee 1 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-4983-476X","authenticated-orcid":false,"given":"Sutirtha","family":"Paul","sequence":"additional","affiliation":[{"name":"Department of Physics and Astronomy, University of Tennessee 2 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0162-0696","authenticated-orcid":false,"given":"Collin","family":"Kovacs","sequence":"additional","affiliation":[{"name":"Department of Mathematics, University of Tennessee 3 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vasileios","family":"Maroulas","sequence":"additional","affiliation":[{"name":"Department of Mathematics, University of Tennessee 3 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9483-8258","authenticated-orcid":false,"given":"Adrian","family":"Del Maestro","sequence":"additional","affiliation":[{"name":"Department of Physics and Astronomy, University of Tennessee 2 , Knoxville, Tennessee 37996,","place":["USA"]},{"name":"Min. H. Kao Department of Electrical Engineering and Computer Science, University of Tennessee 4 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7439-3850","authenticated-orcid":false,"given":"Konstantinos D.","family":"Vogiatzis","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Tennessee 1 , Knoxville, Tennessee 37996,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2026,3,18]]},"reference":[{"key":"2026031806391694500_c1","doi-asserted-by":"publisher","first-page":"3927","DOI":"10.1038\/s41467-021-24119-3","volume":"12","year":"2021","journal-title":"Nat. Commun."},{"key":"2026031806391694500_c2","doi-asserted-by":"publisher","first-page":"5776","DOI":"10.1021\/acs.chemrev.4c00893","volume":"125","year":"2025","journal-title":"Chem. Rev."},{"key":"2026031806391694500_c3","doi-asserted-by":"publisher","first-page":"010901","DOI":"10.1063\/1.5075487","volume":"150","year":"2019","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c4","doi-asserted-by":"publisher","first-page":"205412","DOI":"10.1103\/physrevb.93.205412","volume":"93","year":"2016","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c5","doi-asserted-by":"publisher","first-page":"1879","DOI":"10.1080\/00268976.2013.802039","volume":"111","year":"2013","journal-title":"Mol. Phys."},{"key":"2026031806391694500_c6","doi-asserted-by":"publisher","first-page":"301","DOI":"10.1080\/0144235x.2014.937188","volume":"33","year":"2014","journal-title":"Int. Rev. Phys. Chem."},{"key":"2026031806391694500_c7","doi-asserted-by":"publisher","first-page":"235414","DOI":"10.1103\/physrevb.103.235414","volume":"103","year":"2021","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c8","doi-asserted-by":"publisher","first-page":"2100607","DOI":"10.1002\/aelm.202100607","volume":"8","year":"2022","journal-title":"Adv. Electron. Mater."},{"key":"2026031806391694500_c9","doi-asserted-by":"publisher","first-page":"6764","DOI":"10.3390\/molecules27196764","volume":"27","year":"2022","journal-title":"Molecules"},{"key":"2026031806391694500_c10","doi-asserted-by":"publisher","first-page":"064512","DOI":"10.1103\/physrevb.109.064512","volume":"109","year":"2024","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c11","doi-asserted-by":"publisher","first-page":"614","DOI":"10.1007\/s11837-022-05505-8","volume":"75","year":"2022","journal-title":"JOM"},{"key":"2026031806391694500_c12","doi-asserted-by":"publisher","first-page":"14948","DOI":"10.1007\/s10853-024-10061-4","volume":"59","year":"2024","journal-title":"J.\u00a0Mater. Sci."},{"key":"2026031806391694500_c13","doi-asserted-by":"publisher","first-page":"2539","DOI":"10.3390\/nano11102539","volume":"11","year":"2021","journal-title":"Nanomaterials"},{"key":"2026031806391694500_c14","doi-asserted-by":"publisher","first-page":"1284","DOI":"10.1039\/d3ra06904d","volume":"14","year":"2024","journal-title":"RSC Adv."},{"key":"2026031806391694500_c15","doi-asserted-by":"publisher","first-page":"236802","DOI":"10.1103\/physrevlett.120.236802","volume":"120","year":"2018","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c16","doi-asserted-by":"publisher","first-page":"3163","DOI":"10.1063\/1.1340567","volume":"114","year":"2001","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c17","doi-asserted-by":"publisher","first-page":"10175","DOI":"10.1063\/1.1401816","volume":"115","year":"2001","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c18","doi-asserted-by":"publisher","first-page":"10764","DOI":"10.1021\/jp0202486","volume":"106","year":"2002","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026031806391694500_c19","doi-asserted-by":"publisher","first-page":"155419","DOI":"10.1103\/physrevb.67.155419","volume":"67","year":"2003","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c20","doi-asserted-by":"publisher","first-page":"10101","DOI":"10.1063\/1.1567715","volume":"118","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c21","doi-asserted-by":"publisher","first-page":"5558","DOI":"10.1063\/1.1599831","volume":"119","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c22","doi-asserted-by":"publisher","first-page":"2701","DOI":"10.1063\/1.1767515","volume":"121","year":"2004","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c23","doi-asserted-by":"publisher","first-page":"408","DOI":"10.1016\/j.physb.2004.04.069","volume":"349","year":"2004","journal-title":"Physica B"},{"key":"2026031806391694500_c24","doi-asserted-by":"publisher","first-page":"7653","DOI":"10.1021\/jp072218e","volume":"111","year":"2007","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026031806391694500_c25","doi-asserted-by":"publisher","first-page":"3789","DOI":"10.1021\/jp809410s","volume":"113","year":"2009","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026031806391694500_c26","doi-asserted-by":"publisher","first-page":"124514","DOI":"10.1063\/1.3236386","volume":"131","year":"2009","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c27","doi-asserted-by":"publisher","first-page":"390","DOI":"10.1038\/nchem.596","volume":"2","year":"2010","journal-title":"Nat. Chem."},{"key":"2026031806391694500_c28","doi-asserted-by":"publisher","first-page":"7220","DOI":"10.1021\/jp2003003","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026031806391694500_c29","doi-asserted-by":"publisher","first-page":"259","DOI":"10.1007\/s00601-011-0226-9","volume":"51","year":"2011","journal-title":"Few-Body Syst."},{"key":"2026031806391694500_c30","doi-asserted-by":"publisher","first-page":"144305","DOI":"10.1063\/1.4824299","volume":"139","year":"2013","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c31","doi-asserted-by":"publisher","first-page":"6234","DOI":"10.1002\/chem.201406103","volume":"21","year":"2015","journal-title":"Chem.-Eur. J."},{"key":"2026031806391694500_c32","doi-asserted-by":"publisher","first-page":"234106","DOI":"10.1063\/1.5094907","volume":"150","year":"2019","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c33","doi-asserted-by":"publisher","first-page":"1000","DOI":"10.1002\/jcc.26146","volume":"41","year":"2020","journal-title":"J.\u00a0Comput. Chem."},{"key":"2026031806391694500_c34","doi-asserted-by":"publisher","first-page":"1540","DOI":"10.1093\/nsr\/nwaa064","volume":"7","year":"2020","journal-title":"Natl. Sci. Rev."},{"key":"2026031806391694500_c35","doi-asserted-by":"publisher","first-page":"9745","DOI":"10.1021\/acs.jpclett.0c02879","volume":"11","year":"2020","journal-title":"J.\u00a0Phys. Chem. Lett."},{"key":"2026031806391694500_c36","doi-asserted-by":"publisher","first-page":"144302","DOI":"10.1063\/5.0066817","volume":"155","year":"2021","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c37","doi-asserted-by":"publisher","first-page":"2004","DOI":"10.1039\/d1cp04725f","volume":"24","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026031806391694500_c38","doi-asserted-by":"publisher","first-page":"12956","DOI":"10.1063\/1.1628217","volume":"119","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c39","doi-asserted-by":"publisher","first-page":"4989","DOI":"10.1063\/1.463852","volume":"97","year":"1992","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c40","doi-asserted-by":"publisher","first-page":"10520","DOI":"10.1063\/1.480430","volume":"111","year":"1999","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c41","doi-asserted-by":"publisher","first-page":"6132","DOI":"10.1021\/acs.jpca.4c01491","volume":"128","year":"2024","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026031806391694500_c42","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/B978-0-12-813651-5.00003-6","volume-title":"Mathematical Physics in Theoretical Chemistry","year":"2019"},{"key":"2026031806391694500_c43","doi-asserted-by":"publisher","first-page":"6796","DOI":"10.1063\/1.462569","volume":"96","year":"1992","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c44","doi-asserted-by":"publisher","first-page":"65","DOI":"10.1080\/00268970110088901","volume":"100","year":"2002","journal-title":"Mol. Phys."},{"key":"2026031806391694500_c45","doi-asserted-by":"publisher","first-page":"9639","DOI":"10.1063\/1.473863","volume":"106","year":"1997","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c46","doi-asserted-by":"publisher","first-page":"437","DOI":"10.1016\/S0009-2614(99)00179-7","volume":"302","year":"1999","journal-title":"Chem. Phys. Lett."},{"key":"2026031806391694500_c47","doi-asserted-by":"publisher","first-page":"165","DOI":"10.1016\/0009-2614(89)85118-8","volume":"162","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"2026031806391694500_c48","doi-asserted-by":"publisher","first-page":"074107","DOI":"10.1063\/1.5142048","volume":"152","year":"2020","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c49","doi-asserted-by":"publisher","first-page":"3865","DOI":"10.1103\/physrevlett.77.3865","volume":"77","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c50","doi-asserted-by":"publisher","first-page":"3098","DOI":"10.1103\/physreva.38.3098","volume":"38","year":"1988","journal-title":"Phys. Rev. A"},{"key":"2026031806391694500_c51","doi-asserted-by":"publisher","first-page":"785","DOI":"10.1103\/physrevb.37.785","volume":"37","year":"1988","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c52","doi-asserted-by":"publisher","first-page":"146401","DOI":"10.1103\/physrevlett.91.146401","volume":"91","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c53","doi-asserted-by":"publisher","first-page":"9982","DOI":"10.1063\/1.472933","volume":"105","year":"1996","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c54","doi-asserted-by":"publisher","first-page":"2673","DOI":"10.1073\/pnas.0308730100","volume":"101","year":"2004","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026031806391694500_c55","doi-asserted-by":"publisher","first-page":"1372","DOI":"10.1063\/1.464304","volume":"98","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c56","doi-asserted-by":"publisher","first-page":"12129","DOI":"10.1063\/1.1626543","volume":"119","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c57","doi-asserted-by":"publisher","first-page":"525","DOI":"10.1007\/s00214-007-0401-8","volume":"119","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"2026031806391694500_c58","doi-asserted-by":"publisher","first-page":"154116","DOI":"10.1063\/1.2772854","volume":"127","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c59","doi-asserted-by":"publisher","first-page":"51","DOI":"10.1016\/j.cplett.2004.06.011","volume":"393","year":"2004","journal-title":"Chem. Phys. Lett."},{"key":"2026031806391694500_c60","doi-asserted-by":"publisher","first-page":"263","DOI":"10.1021\/ct300715s","volume":"9","year":"2012","journal-title":"J.\u00a0Chem. Theory Comput."},{"key":"2026031806391694500_c61","doi-asserted-by":"publisher","first-page":"3297","DOI":"10.1039\/b508541a","volume":"7","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026031806391694500_c62","doi-asserted-by":"publisher","first-page":"587","DOI":"10.1007\/s00214-007-0250-5","volume":"117","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"2026031806391694500_c63","doi-asserted-by":"publisher","first-page":"034112","DOI":"10.1063\/1.4993215","volume":"147","year":"2017","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c64","doi-asserted-by":"publisher","first-page":"154122","DOI":"10.1063\/1.5090222","volume":"150","year":"2019","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c65","doi-asserted-by":"publisher","first-page":"8097","DOI":"10.1021\/acs.jctc.3c00717","volume":"19","year":"2023","journal-title":"J.\u00a0Chem. Theory Comput."},{"key":"2026031806391694500_c66","doi-asserted-by":"publisher","first-page":"21379","DOI":"10.1039\/d4cp01514b","volume":"26","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026031806391694500_c67","doi-asserted-by":"publisher","first-page":"8499","DOI":"10.1039\/d0cp00502a","volume":"22","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026031806391694500_c68","doi-asserted-by":"publisher","first-page":"1887","DOI":"10.1021\/cr00031a008","volume":"94","year":"1994","journal-title":"Chem. Rev."},{"key":"2026031806391694500_c69","doi-asserted-by":"publisher","first-page":"184108","DOI":"10.1063\/5.0006002","volume":"152","year":"2020","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c70","doi-asserted-by":"publisher","first-page":"279","DOI":"10.1103\/revmodphys.67.279","volume":"67","year":"1995","journal-title":"Rev. Mod. Phys."},{"key":"2026031806391694500_c71","doi-asserted-by":"publisher","first-page":"036701","DOI":"10.1103\/PhysRevE.74.036701","volume":"74","year":"2006","journal-title":"Phys. Rev. E"},{"key":"2026031806391694500_c72","unstructured":"A. Del Maestro (2024), Github Repository. https:\/\/doi.org\/10.5281\/zenodo.7271914"},{"key":"2026031806391694500_c73","doi-asserted-by":"publisher","first-page":"4330","DOI":"10.1063\/1.438007","volume":"70","year":"1979","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c74","doi-asserted-by":"publisher","first-page":"183003","DOI":"10.1103\/physrevlett.104.183003","volume":"104","year":"2010","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c75","doi-asserted-by":"publisher","first-page":"224303","DOI":"10.1063\/1.4712218","volume":"136","year":"2012","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c76","doi-asserted-by":"publisher","first-page":"105303","DOI":"10.1103\/physrevlett.106.105303","volume":"106","year":"2011","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c77","doi-asserted-by":"publisher","first-page":"064512","DOI":"10.1103\/physrevb.88.064512","volume":"88","year":"2013","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c78","doi-asserted-by":"publisher","first-page":"064510","DOI":"10.1103\/PhysRevB.92.064510","volume":"92","year":"2015","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c79","doi-asserted-by":"publisher","first-page":"094514","DOI":"10.1103\/physrevb.87.094514","volume":"87","year":"2013","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c80","doi-asserted-by":"publisher","first-page":"085402","DOI":"10.1103\/physrevb.105.085402","volume":"105","year":"2022","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c81","doi-asserted-by":"publisher","first-page":"144118","DOI":"10.1063\/5.0146020","volume":"158","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c82","volume-title":"Gaussian Processes for Machine Learning","year":"2005"},{"key":"2026031806391694500_c83","doi-asserted-by":"publisher","first-page":"174114","DOI":"10.1063\/1.5051772","volume":"149","year":"2018","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c84","doi-asserted-by":"publisher","first-page":"10073","DOI":"10.1021\/acs.chemrev.1c00022","volume":"121","year":"2021","journal-title":"Chem. Rev."},{"key":"2026031806391694500_c85","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1093\/biomet\/87.1.1","volume":"87","year":"2000","journal-title":"Biometrika"},{"key":"2026031806391694500_c86"},{"key":"2026031806391694500_c87","doi-asserted-by":"publisher","first-page":"572","DOI":"10.1038\/s43588-025-00822-9","volume":"5","year":"2025","journal-title":"Nat. Comput. Sci."},{"key":"2026031806391694500_c88","doi-asserted-by":"publisher","DOI":"10.1088\/2632-2153\/ad7ad5","volume":"5","year":"2024","journal-title":"Mach. Learn.: Sci. Technol."},{"key":"2026031806391694500_c89","author":"Guyon","year":"2017"},{"key":"2026031806391694500_c90","first-page":"7425","author":"Ruiz","year":"2023"},{"key":"2026031806391694500_c91","doi-asserted-by":"publisher","DOI":"10.1002\/9780470143582.ch2","article-title":"Permanent and induced molecular moments and long-range intermolecular forces","volume-title":"Advances in Chemical Physics","author":"Buckingham","year":"1967"},{"key":"2026031806391694500_c92","doi-asserted-by":"publisher","first-page":"094109","DOI":"10.1063\/5.0135929","volume":"158","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c93","unstructured":"S. Paul (2024), Github Repository. https:\/\/doi.org\/10.5281\/zenodo.17982887"},{"key":"2026031806391694500_c94","doi-asserted-by":"publisher","first-page":"2367","DOI":"10.1080\/00268970802471137","volume":"106","year":"2008","journal-title":"Mol. Phys."},{"key":"2026031806391694500_c95","doi-asserted-by":"publisher","first-page":"1217","DOI":"10.1063\/1.556028","volume":"27","year":"1998","journal-title":"J.\u00a0Phys. Chem. Ref. Data"},{"key":"2026031806391694500_c96","doi-asserted-by":"publisher","first-page":"224306","DOI":"10.1063\/1.4936414","volume":"143","year":"2015","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c97","doi-asserted-by":"publisher","first-page":"064305","DOI":"10.1063\/1.4960611","volume":"145","year":"2016","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c98","doi-asserted-by":"publisher","first-page":"2","DOI":"10.1016\/j.comptc.2016.09.027","article-title":"Structure prediction of nanoclusters from global optimization techniques: Computational strategies","volume":"1107","year":"2017","journal-title":"Comput. Theor. Chem."},{"key":"2026031806391694500_c99","doi-asserted-by":"publisher","first-page":"054307","DOI":"10.1063\/1.1961532","volume":"123","year":"2005","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026031806391694500_c100","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1080\/0144235X.2015.1132595","volume":"35","year":"2016","journal-title":"Int. Rev. Phys. Chem."},{"key":"2026031806391694500_c101","doi-asserted-by":"publisher","first-page":"4937","DOI":"10.3390\/molecules27154937","volume":"27","year":"2022","journal-title":"Molecules"},{"key":"2026031806391694500_c102","first-page":"91","volume-title":"Microscopic Approaches to Quantum Liquids in Confined Geometries","year":"2002"},{"key":"2026031806391694500_c103","doi-asserted-by":"publisher","first-page":"3802","DOI":"10.1103\/physrevb.59.3802","volume":"59","year":"1999","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c104","doi-asserted-by":"publisher","first-page":"245414","DOI":"10.1103\/physrevb.78.245414","volume":"78","year":"2008","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c105","doi-asserted-by":"publisher","first-page":"205301","DOI":"10.1103\/physrevlett.124.205301","volume":"124","year":"2020","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c106","doi-asserted-by":"publisher","first-page":"174514","DOI":"10.1103\/physrevb.103.174514","volume":"103","year":"2021","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c107","doi-asserted-by":"publisher","first-page":"525","DOI":"10.1007\/s10909-024-03156-4","volume":"215","year":"2024","journal-title":"J.\u00a0Low Temp. Phys."},{"key":"2026031806391694500_c108","doi-asserted-by":"publisher","first-page":"180501","DOI":"10.1103\/physrevb.94.180501","volume":"94","year":"2016","journal-title":"Phys. Rev. B"},{"key":"2026031806391694500_c109","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1038\/nphys4023","volume":"13","year":"2017","journal-title":"Nat. Phys."},{"key":"2026031806391694500_c110","doi-asserted-by":"publisher","first-page":"135301","DOI":"10.1103\/physrevlett.127.135301","volume":"127","year":"2021","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c111","doi-asserted-by":"publisher","first-page":"096002","DOI":"10.1103\/physrevlett.134.096002","volume":"134","year":"2025","journal-title":"Phys. Rev. Lett."},{"key":"2026031806391694500_c112","unstructured":"S. Akram , S.Paul, A.Del Maestro, and K. D.Vogiatzis (2025), GitHub. https:\/\/doi.org\/10.5281\/zenodo.17992891"},{"key":"2026031806391694500_c113","unstructured":"S. Paul and A.Del Maestro (2025), Zenodo Data Repository. https:\/\/doi.org\/10.5281\/zenodo.18049741"}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0322444\/20943979\/114108_1_5.0322444.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0322444\/20943979\/114108_1_5.0322444.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,18]],"date-time":"2026-03-18T10:39:27Z","timestamp":1773830367000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/164\/11\/114108\/3383859\/Accurate-helium-benzene-potential-From-CCSD-T-to"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3,18]]},"references-count":113,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2026,3,21]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0322444","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2026,3,21]]},"published":{"date-parts":[[2026,3,18]]},"article-number":"114108"}}