| dc.date | 2015 | |
| dc.date | 2016-06-03T20:14:47Z | |
| dc.date | 2016-06-03T20:14:47Z | |
| dc.date.accessioned | 2018-03-29T01:33:28Z | |
| dc.date.available | 2018-03-29T01:33:28Z | |
| dc.identifier | | |
| dc.identifier | Quimica Nova. Sociedade Brasileira De Quimica, v. 38, n. 7, p. 995 - 1001, 2015. | |
| dc.identifier | 1004042 | |
| dc.identifier | 10.5935/0100-4042.20150083 | |
| dc.identifier | http://www.scopus.com/inward/record.url?eid=2-s2.0-84945324551&partnerID=40&md5=c6a3110af1ec2bd6c74611cbb785c325 | |
| dc.identifier | http://repositorio.unicamp.br/jspui/handle/REPOSIP/238274 | |
| dc.identifier | 2-s2.0-84945324551 | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1304935 | |
| dc.description | Alternative considerably simpler ways of obtaining the Hartree and Hartree-Fock equations are presented. These alternatives do not replace the formal demonstrations, which should be introduced in undergraduate or graduate courses according to the required level of student training. However, the use of the present approaches allows a student-friendlier introduction of the basic principles of electronic structure calculations as a prior teaching resource to the formal demonstrations. General implications and comparisons between the Hartree and Hartree-Fock energies are discussed. | |
| dc.description | 38 | |
| dc.description | 7 | |
| dc.description | 995 | |
| dc.description | 1001 | |
| dc.description | Do Monte, S.A., Ventura, E., (2011) Quim. Nova, 34, p. 527 | |
| dc.description | Hartree, D.R., (1928) Proc. Cambridge Philos. Soc., 24, p. 111 | |
| dc.description | Hartree, D.R., (1928) Proc. Cambridge Philos. Soc., 24, p. 89 | |
| dc.description | Fock, V., (1930) Z. Phys., 61, p. 126 | |
| dc.description | Levine, I., (2008) Quantum Chemistry, , 6th ed. | |
| dc.description | Prentice Hall: New Jersey | |
| dc.description | Pilar, F.L., (2001) Elementary Quantum Chemistry, , 2nd ed. | |
| dc.description | Dover Publications: New York | |
| dc.description | McQuarrie, D.A., Simon, J.D., (1997) Physical Chemistry: A Molecular Approach, , University Science Books: Sausalito | |
| dc.description | Arfken, G.B., Weber, H.J., Harris, F.E., (2005) Mathematical Methods for Physicists: A Comprehensive Guide, , 6th ed. | |
| dc.description | Academic Press: New York | |
| dc.description | Morgon, N.H., Coutinho, K., (2007) Métodos de Química Teórica e Modelagem Molecular, , Editora Livraria da Física: São Paulo | |
| dc.description | Pople, J.A., Beveridge, D.L., (1970) Approximate Molecular Orbital Theory, , McGraw-Hill: New York | |
| dc.description | Custodio, R., Politi Dos, R.J.S., Segala, M., Haiduke, R.L.A., Cyrillo, M., (2002) Quim. Nova, 25, p. 159 | |
| dc.description | Roothaan, C.C.J., (1960) Rev. Mod. Phys., 32, p. 179 | |
| dc.description | Szabo, A., Ostlund, N.S., (1996) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, , Dover Publications: New York | |
| dc.description | Coulson, C.A., Neilson, A.H., (1963) Discuss. Faraday Soc., 35, p. 71 | |
| dc.description | Davidson, E.R., (1972) J. Chem. Phys., 57, p. 1999 | |
| dc.description | Weinstein, H., Pauncz, R., Cohen, M., (1971) Adv. At. Mol. Opt. Phys., 7, p. 97 | |
| dc.description | Edmiston, C., Ruedenberg, K., (1963) Rev. Mod. Phys., 35, p. 457 | |
| dc.description | Levy, M., Nee, T., Parr, R.G., (1975) J. Chem. Phys., 63, p. 316 | |
| dc.description | | |
| dc.description | | |
| dc.language | pt | |
| dc.publisher | Sociedade Brasileira de Quimica | |
| dc.relation | Quimica Nova | |
| dc.rights | fechado | |
| dc.source | Scopus | |
| dc.title | A Simplified Route To Obtain The Hartree And Hartree-fock Equations [uma Forma Simplificada De Deduzir As Equações De Hartree E Hartree-fock] | |
| dc.type | Artículos de revistas | |
