Artículo

La versión final de este artículo es de uso interno. El editor solo permite incluir en el repositorio el artículo en su versión post-print. Por favor, si usted la posee enviela a
Consulte el artículo en la página del editor
Consulte la política de Acceso Abierto del editor

Abstract:

An explicit definition for the self-energy field operator and the self-energy fields obtained from an average of the associated operator within the algebraic formalism of superoperators is presented. It stems from the formal expansion of the many-body propagator equations of motion hierachy in quantum many-body systems within the scenario of the Liouvillian decoupling scheme developed in previous works. An essential theoretical property of such fields for the complete expansion of the propagator to any order in the interaction potential is shown. This states that the interaction potential to a given order only depends on one q-reduced density matrix. The contraction order q of the density matrix depends on both the nature of the operators defining the propagator and the actual order of the expansion. This result is rigorous regarding infinite summation of the irreducible terms of the self-energy fields and provides a direct way to estimate the extent to which many-body effects are involved in successive approximations, i.e., truncation of the excitation level given by the reference state throughout the reduced density matrix and the expansion of the propagator. © 2002 Wiley Periodicals, Inc. Int. J. Quantum Chem.

Registro:

Documento: Artículo
Título:Self-energy operator and self-energy fields in many-body systems: Liouvillian approach
Autor:Bochicchio, R.C.; Grinberg, H.
Filiación:Departamento de Física, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, (1428) Buenos Aires, Argentina
Palabras clave:Dyson equation; Liouvillian approach; Propagators; Reduced density matrices; Self-energy fields; Electron energy levels; Equations of motion; Green's function; Mathematical operators; Matrix algebra; Reduced density matrices (RDM); Quantum theory
Año:2002
Volumen:90
Número:1
Página de inicio:148
Página de fin:154
DOI: http://dx.doi.org/10.1002/qua.10097
Título revista:International Journal of Quantum Chemistry
Título revista abreviado:Int J Quantum Chem
ISSN:00207608
CODEN:IJQCB
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00207608_v90_n1_p148_Bochicchio

Referencias:

  • Zubarev, N., (1960) Sov Phys Usp, 3, p. 320. , and references therein
  • Bonch-Bruevich, V.L., Tyablikov, S.V., (1962) The Green Function Method in Statistical Mechanics, , North-Holland: Amsterdam
  • Linderberg, J., Öhrn, Y., (1973) Propagators in Quantum Chemistry, , Academic: London
  • Nozières, P., (1964) Theory of Interacting Fermi Systems, , Benjamin: New York
  • Paul, R., (1982) Field Theoretical Methods in Chemical Physics, , Elsevier: Amsterdam
  • Csanak, G., Taylor, H.S., Yaris, R., (1971) Adv At Mol Phys, 7, p. 287
  • Cederbaum, L.S., Domcke, W., (1977) Adv Chem Phys, 36, p. 205
  • Kadanoff, L.P., Baym, G., (1962) Quantum Statistical Mechanics, , Benjamin: New York
  • Ajiezer, A.I., Peletminski, S.V., Methods of statistical physics (1981) Int. Series in Nat Phyl, 104. , Pergamonn: Oxford
  • Bochicchio, R.C., Alcoba, D.R., (2001) Int J Quantum Chem, 85, p. 63
  • Bochicchio, R.C., Grinberg, H., (1995) Int J Quantum Chem, 54, p. 27
  • Bochicchio, R.C., Grinberg, H., (2000) Int J Quantum Chem, 79, p. 280
  • Girardeau, M.D., (1971) Phys Rev Lett, 27, p. 1416
  • Kvasnička, V., (1984) Croat Chem Acta, 57, p. 1643. , and references therein
  • Coleman, A.J., Yukalov, V.I., (2000) Lecture Notes in Chemistry, 72. , Springer: Berlin; and references therein
  • Bochicchio, R.C., Alcoba, D.R., unpublished results; Valdemoro, C., De Lara, M.P., Bochicchio, R.C., Pèrez-Romero, E., (1997) Int J Quantum Chem, 65, p. 97
  • Husimi, K., (1940) Proc Phys Soc Jpn, 22, p. 264
  • Löwdin, P.O., (1955) Phys Rev, 97, p. 1474
  • Coleman, A.J., (1963) Rev Mod Phys, 5, p. 668. , and references therein
  • Dharmawardana, M.W.C., (1968) Queen's Papers in Pure and Appl Math 11, 11, p. 129. , Queen's University, Kingston, Ontario, Canada
  • Davidson, E.R., (1976) Reduced Density Matrices in Quantum Chemistry, , Academic: London
  • Valdemoro, C., (1996) Strategies and Applications in Quantum Chemistry, p. 55. , Ellinger, Y.; Defranceschi, M., Eds.; Kluwer Academic: Amsterdam; and references therein
  • Coleman, A.J., (1975) Quantum Statistics and the Many Body Physics, p. 239. , Trickey, S. B.; Kirk, W. P.; Dufty, J. W., Eds.; Plenum: New York
  • Coleman, A.J., (1989) J Low Temp Phys, 74, p. 1
  • Bochicchio, R.C., (1990) An Asoc Fís Arg, 2, p. 51. , in Spanish
  • Bochicchio, R.C., (1990) J Mol Struct (Theochem), 210, p. 99
  • Brand, J., Cederbaum, L.S., (1996) Ann Phys, 252, p. 276
  • Girardeau, M.D., (1983) Phys Rev A, 28, p. 1056
  • Bochicchio, R.C., Grinberg, H., (1990) Chem Phys Lett, 236, p. 169
  • Bochicchio, R.C., Grinberg, H., (1998) J Mol Struct (Theochem), 426, p. 9
  • Löwdin, P.O., (1982) Int J Quantum Chem, 21, p. 275. , and references therein
  • Pickup, B.T., Goscinski, O., (1973) Mol Phys, 26, p. 1013
  • Öhrn, Y., Born, G., (1981) Adv Quantum Chem, 13, p. 1. , and references therein
  • Szabo, A., Ostlund, N.S., (1982) Modern Quantum Chemistry: Introduction to Advanced Electronic Theory, , MacMillan: New York
  • Oddershede, J., (1978) Adv Quantum Chem, 11, p. 275
  • Jørgensen, J., Oddershede, J., (1977) J Chem Phys, 66, p. 1541
  • Bochicchio, R.C., Ferraro, M.B., Grinberg, H., Cavasotto, C., (1995) J Mol Struct (Theochem), 335, p. 1
  • Kutzelnigg, W., (1982) J Chem Phys, 77, p. 3081
  • Bochicchio, R.C., Grinberg, H., (1995) J Mol Struct (Theochem), 330, p. 113
  • McWeeny, R., (1992) Methods of Molecular Quantum Mechanics, , Academic: London
  • Kutzelnigg, W., Mukherjee, D., (1999) J Chem Phys, 110, p. 2800
  • Bochicchio, R.C., Ponec, R., Lain, L., Torre, A., (1998) J Phys Chem A, 102, p. 7176. , and references therein
  • Bochicchio, R.C., Lain, L., Torre, A., Ponec, R., (2001) J Math Chem, 28, p. 83. , and references therein
  • Coleman, A.J., (1987) Density Matrices and Density Functionals, p. 5. , Erdahl, R.; Smith, Jr., V. H., Eds.; Reidel: Dordrecht; and references therein

Citas:

---------- APA ----------
Bochicchio, R.C. & Grinberg, H. (2002) . Self-energy operator and self-energy fields in many-body systems: Liouvillian approach. International Journal of Quantum Chemistry, 90(1), 148-154.
http://dx.doi.org/10.1002/qua.10097
---------- CHICAGO ----------
Bochicchio, R.C., Grinberg, H. "Self-energy operator and self-energy fields in many-body systems: Liouvillian approach" . International Journal of Quantum Chemistry 90, no. 1 (2002) : 148-154.
http://dx.doi.org/10.1002/qua.10097
---------- MLA ----------
Bochicchio, R.C., Grinberg, H. "Self-energy operator and self-energy fields in many-body systems: Liouvillian approach" . International Journal of Quantum Chemistry, vol. 90, no. 1, 2002, pp. 148-154.
http://dx.doi.org/10.1002/qua.10097
---------- VANCOUVER ----------
Bochicchio, R.C., Grinberg, H. Self-energy operator and self-energy fields in many-body systems: Liouvillian approach. Int J Quantum Chem. 2002;90(1):148-154.
http://dx.doi.org/10.1002/qua.10097