Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/348910
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampCustodio, Rogério-
dc.contributor.authorunicampCreatto, Eduardo José-
dc.typeArtigopt_BR
dc.titleResolvendo a equação de Schrödinger utilizando procedimentos numéricos fundamentaispt_BR
dc.title.alternativeSolving the Schrödinger equation using fundamental numerical procedurespt_BR
dc.contributor.authorCustodio, Rogério-
dc.contributor.authorCustodio, Maurício Ramalho-
dc.contributor.authorCreatto, Eduardo José-
dc.subjectMétodo variacional de Monte Carlopt_BR
dc.subject.otherlanguageVariational Monte Carlo methodpt_BR
dc.description.abstractA combination of the variational principle, expectation value and Quantum Monte Carlo method is used to solve the Schrödinger equation for some simple systems. The results are accurate and the simplicity of this version of the Variational Quantum Monte Carlo method provides a powerful tool to teach alternative procedures and fundamental concepts in quantum chemistry courses. Some numerical procedures are described in order to control accuracy and computational efficiency. The method was applied to the ground state energies and a first attempt to obtain excited states is describedpt_BR
dc.relation.ispartofQuímica novapt_BR
dc.relation.ispartofabbreviationQuím. novapt_BR
dc.publisher.citySão Paulo, SPpt_BR
dc.publisher.countryBrasilpt_BR
dc.publisherSociedade Brasileira de Químicapt_BR
dc.date.issued2012-
dc.date.monthofcirculationago.pt_BR
dc.language.isoporpt_BR
dc.description.volume35pt_BR
dc.description.issuenumber10pt_BR
dc.description.firstpage2076pt_BR
dc.description.lastpage2082pt_BR
dc.rightsAbertopt_BR
dc.sourceSciELOpt_BR
dc.identifier.issn0100-4042pt_BR
dc.identifier.eissn1678-7064pt_BR
dc.identifier.doi10.1590/S0100-40422012001000032pt_BR
dc.identifier.urlhttps://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012001000032pt_BR
dc.description.sponsorshipCONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQpt_BR
dc.description.sponsorshipFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESPpt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.date.available2020-09-09T12:36:35Z-
dc.date.accessioned2020-09-09T12:36:35Z-
dc.description.provenanceSubmitted by Thais de Brito Barroso (tbrito@unicamp.br) on 2020-09-09T12:36:35Z No. of bitstreams: 0. Added 1 bitstream(s) on 2021-01-04T15:12:58Z : No. of bitstreams: 1 S0100-40422012001000032.pdf: 528781 bytes, checksum: 98b16a5b6d2d4860db13474d469cc6eb (MD5)en
dc.description.provenanceMade available in DSpace on 2020-09-09T12:36:35Z (GMT). No. of bitstreams: 0 Previous issue date: 2012en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/348910-
dc.contributor.departmentDepartamento de Físico-Químicapt_BR
dc.contributor.departmentSem informaçãopt_BR
dc.contributor.unidadeInstituto de Químicapt_BR
dc.contributor.unidadeInstituto de Químicapt_BR
dc.subject.keywordExpectation valuept_BR
dc.subject.keywordFundamental and excited statespt_BR
dc.identifier.sourceS0100-40422012001000032pt_BR
dc.creator.orcid0000-0002-1824-2521pt_BR
dc.creator.orcid0000-0001-5628-491Xpt_BR
dc.type.formArtigopt_BR
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