{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T13:44:57Z","timestamp":1791985497567,"version":"4.4.0"},"reference-count":45,"publisher":"Royal Society of Chemistry (RSC)","issue":"39","license":[{"start":{"date-parts":[[2027,8,24]],"date-time":"2027-08-24T00:00:00Z","timestamp":1819065600000},"content-version":"am","delay-in-days":600,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>The efficiency of the multi-configuration time-dependent Hartree (MCTDH) method depends critically on the availability of a compact sum-of-products (SOP) representation of the potential energy surface (PES).<\/jats:p>","DOI":"10.1039\/d6cp02864k","type":"journal-article","created":{"date-parts":[[2026,8,24]],"date-time":"2026-08-24T13:57:42Z","timestamp":1787579862000},"page":"24674-24682","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Reducing the complexity of sum-of-products potential energy surfaces for efficient MCTDH calculations"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0366-9263","authenticated-orcid":false,"given":"Herv\u00e9 Tajouo","family":"Tela","sequence":"first","affiliation":[{"name":"Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sosth\u00e8ne","family":"Irambona","sequence":"additional","affiliation":[{"name":"ICTP-East African Institute for Fundamental Research, University of Rwanda, Kigali, Rwanda"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0988-8216","authenticated-orcid":false,"given":"Ayda","family":"Badri","sequence":"additional","affiliation":[{"name":"Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy"},{"name":"Scuola Superiore Meridionale, 80138 Napoli, Italy"},{"name":"Univ Paris Est Creteil and Universit\u00e9 Paris Cit\u00e9, CNRS, LISA, F-94010 Cr\u00e9teil, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1755-7238","authenticated-orcid":false,"given":"Nicola","family":"Tasinato","sequence":"additional","affiliation":[{"name":"Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-5977-0818","authenticated-orcid":false,"given":"Pascale","family":"Chelin","sequence":"additional","affiliation":[{"name":"Univ Paris Est Creteil and Universit\u00e9 Paris Cit\u00e9, CNRS, LISA, F-94010 Cr\u00e9teil, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4263-1789","authenticated-orcid":false,"given":"Fabien","family":"Gatti","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bourgogne Europe, CNRS, Laboratoire Interdisciplinaire Carnot de Bourgogne ICB UMR 6303, F-21000 Dijon, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7136-3827","authenticated-orcid":false,"given":"Steve","family":"Ndengue","sequence":"additional","affiliation":[{"name":"Department of Physics and Astronomy, Haverford College, Haverford, PA, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP02864K\/cit1\/1","volume-title":"Molecular Spectroscopy and Quantum Dynamics","author":"Marquardt","year":"2020","unstructured":"R.Marquardt  and  M.Quack ,  Molecular Spectroscopy and Quantum Dynamics ,  Elsevier ,  2020"},{"key":"D6CP02864K\/cit2\/1","doi-asserted-by":"crossref","first-page":"1545","DOI":"10.1021\/acs.jpclett.7b00391","volume":"8","author":"Marsalek","year":"2017","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP02864K\/cit3\/1","doi-asserted-by":"crossref","first-page":"5161","DOI":"10.1021\/jp994174i","volume":"104","author":"Ben-Nun","year":"2000","journal-title":"J. Phys. Chem. A"},{"key":"D6CP02864K\/cit4\/1","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1021\/acs.accounts.1c00665","volume":"55","author":"Richings","year":"2022","journal-title":"Acc. Chem. Res."},{"key":"D6CP02864K\/cit5\/1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-319-53923-2","volume-title":"Applications of quantum dynamics in chemistry","author":"Gatti","year":"2017","unstructured":"F.Gatti ,  B.Lasorne ,  H.-D.Meyer  and  A.Nauts ,  Applications of quantum dynamics in chemistry ,  Springer ,  2017 , vol. 98"},{"key":"D6CP02864K\/cit6\/1","doi-asserted-by":"crossref","first-page":"13119","DOI":"10.1029\/93JE01045","volume":"98","author":"Wayne","year":"1993","journal-title":"J. Geophys. Res.: Planets"},{"key":"D6CP02864K\/cit7\/1","doi-asserted-by":"crossref","first-page":"56","DOI":"10.3390\/atoms6040056","volume":"6","author":"Salam","year":"2018","journal-title":"Atoms"},{"key":"D6CP02864K\/cit8\/1","doi-asserted-by":"crossref","first-page":"104301","DOI":"10.1063\/5.0284377","volume":"163","author":"Chahal","year":"2025","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit9\/1","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1080\/00268970802258609","volume":"106","author":"Bowman","year":"2008","journal-title":"Mol. Phys."},{"key":"D6CP02864K\/cit10\/1","doi-asserted-by":"crossref","first-page":"1183","DOI":"10.1002\/qua.24661","volume":"114","author":"Nyman","year":"2014","journal-title":"Int. J. Quantum Chem."},{"key":"D6CP02864K\/cit11\/1","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1098\/rspa.1960.0125","volume":"256","author":"Arthurs","year":"1960","journal-title":"Proc. R. Soc. London, Ser. A"},{"key":"D6CP02864K\/cit12\/1","first-page":"023201","volume":"22","author":"Needs","year":"2010","journal-title":"J. Phys.: Condens. Matter"},{"key":"D6CP02864K\/cit13\/1","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1103\/RevModPhys.77.259","volume":"77","author":"Schollw\u00f6ck","year":"2005","journal-title":"Rev. Mod. Phys."},{"key":"D6CP02864K\/cit14\/1","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/0009-2614(90)87014-I","volume":"165","author":"Meyer","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"D6CP02864K\/cit15\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0370-1573(99)00047-2","volume":"324","author":"Beck","year":"2000","journal-title":"Phys. Rep."},{"key":"D6CP02864K\/cit16\/1","first-page":"351","volume":"2","author":"Meyer","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D6CP02864K\/cit17\/1","doi-asserted-by":"crossref","first-page":"7712","DOI":"10.1021\/acs.jpca.5b01022","volume":"119","author":"Ndengue","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"D6CP02864K\/cit18\/1","doi-asserted-by":"crossref","first-page":"134301","DOI":"10.1063\/1.5119381","volume":"151","author":"Ndengu\u00e9","year":"2019","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit19\/1","doi-asserted-by":"crossref","first-page":"31813","DOI":"10.1039\/D3CP03225F","volume":"25","author":"Tela","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"28","key":"D6CP02864K\/cit20\/1","doi-asserted-by":"crossref","first-page":"6247","DOI":"10.1021\/acs.jpca.5c02638","volume":"129","author":"Tela","year":"2025","journal-title":"J. Phys. Chem. A"},{"key":"D6CP02864K\/cit21\/1","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1016\/j.cplett.2018.11.035","volume":"715","author":"Ndengu\u00e9","year":"2019","journal-title":"Chem. Phys. Lett."},{"key":"D6CP02864K\/cit22\/1","doi-asserted-by":"crossref","first-page":"7974","DOI":"10.1063\/1.471513","volume":"104","author":"J\u00e4ckle","year":"1996","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit23\/1","doi-asserted-by":"crossref","first-page":"3772","DOI":"10.1063\/1.476977","volume":"109","author":"J\u00e4ckle","year":"1998","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit24\/1","doi-asserted-by":"crossref","first-page":"014108","DOI":"10.1063\/1.4773021","volume":"138","author":"Pel\u00e1ez","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit25\/1","doi-asserted-by":"crossref","first-page":"014106","DOI":"10.1063\/1.4856135","volume":"140","author":"Otto","year":"2014","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit26\/1","doi-asserted-by":"crossref","first-page":"064105","DOI":"10.1063\/1.4991851","volume":"147","author":"Schr\u00f6der","year":"2017","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit27\/1","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/0009-2614(90)87014-I","volume":"165","author":"Meyer","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"D6CP02864K\/cit28\/1","doi-asserted-by":"crossref","first-page":"3199","DOI":"10.1063\/1.463007","volume":"97","author":"Manthe","year":"1992","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit29\/1","doi-asserted-by":"crossref","DOI":"10.1002\/9783527627400","volume-title":"Multidimensional quantum\ndynamics: MCTDH theory and applications","author":"Meyer","year":"2009","unstructured":"H.-D.Meyer ,  F.Gatti  and  G. A.Worth ,  Multidimensional quantum\ndynamics: MCTDH theory and applications ,  John Wiley & Sons ,  2009"},{"key":"D6CP02864K\/cit30\/1","doi-asserted-by":"crossref","first-page":"4594","DOI":"10.1063\/1.451824","volume":"85","author":"Ba\u010di\u0107","year":"1986","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit31\/1","doi-asserted-by":"crossref","first-page":"3065","DOI":"10.1063\/1.452017","volume":"86","author":"Ba\u010di\u0107","year":"1987","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit32\/1","first-page":"263","volume":"114","author":"Light","year":"2000","journal-title":"Adv. Chem. Phys."},{"key":"D6CP02864K\/cit33\/1","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1137\/07070111X","volume":"51","author":"Kolda","year":"2009","journal-title":"SIAM Rev."},{"key":"D6CP02864K\/cit34\/1","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1007\/BF02289464","volume":"31","author":"Tucker","year":"1966","journal-title":"Psychometrika"},{"key":"D6CP02864K\/cit35\/1","doi-asserted-by":"crossref","first-page":"2030","DOI":"10.1093\/mnras\/stae2166","volume":"534","author":"Chahal","year":"2024","journal-title":"Mon. Not. R. Astron. Soc."},{"key":"D6CP02864K\/cit36\/1","doi-asserted-by":"crossref","first-page":"2279","DOI":"10.1093\/mnras\/stad3140","volume":"527","author":"Tonolo","year":"2024","journal-title":"Mon. Not. R. Astron. Soc."},{"key":"D6CP02864K\/cit37\/1","author":"Hutson","year":"1993","unstructured":"J. M.Hutson , BOUND computer code, version 5 (1993),  1993 , distributed by Collaborative Computational Project No. 6 of the Science and Engineering Research Council (UK)"},{"key":"D6CP02864K\/cit38\/1","doi-asserted-by":"crossref","first-page":"6849","DOI":"10.1039\/C6CP07894J","volume":"19","author":"Quintas Sanchez","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP02864K\/cit39\/1","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1080\/00268976.2010.526641","volume":"109","author":"Werner","year":"2011","journal-title":"Mol. Phys."},{"key":"D6CP02864K\/cit40\/1","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1021\/jp003567a","volume":"105","author":"Goldman","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"D6CP02864K\/cit41\/1","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1016\/S1464-1909(01)00038-7","volume":"26","author":"Headrick","year":"2001","journal-title":"Phys. Chem. Earth, Part C"},{"key":"D6CP02864K\/cit42\/1","doi-asserted-by":"crossref","first-page":"4716","DOI":"10.1039\/b809435g","volume":"10","author":"Cencek","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP02864K\/cit43\/1","doi-asserted-by":"crossref","DOI":"10.1142\/0270","volume-title":"Quantum Theory of Angular Momentum","author":"Varshalovich","year":"1988","unstructured":"D. A.Varshalovich ,  A. N.Moskalev  and  V. K.Khersonskii ,  Quantum Theory of Angular Momentum ,  World Scientific ,  1988"},{"key":"D6CP02864K\/cit44\/1","doi-asserted-by":"crossref","first-page":"074108","DOI":"10.1063\/1.5020426","volume":"148","author":"Wang","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D6CP02864K\/cit45\/1","doi-asserted-by":"crossref","first-page":"014305","DOI":"10.1063\/1.4722338","volume":"137","author":"Leforestier","year":"2012","journal-title":"J. Chem. Phys."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP02864K\/0\/D6CP02864K.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T12:48:42Z","timestamp":1791982122000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP02864K"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":45,"journal-issue":{"issue":"39","published-print":{"date-parts":[[2026,10,14]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp02864k","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D6CP02864K\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v2\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP02864K\/v2\/review1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}