A general approach for multiconfiguration method sin quantum molecular chemistry

Claude Le Bris

Annales de l'I.H.P. Analyse non linéaire (1994)

  • Volume: 11, Issue: 4, page 441-484
  • ISSN: 0294-1449

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Le Bris, Claude. "A general approach for multiconfiguration method sin quantum molecular chemistry." Annales de l'I.H.P. Analyse non linéaire 11.4 (1994): 441-484. <http://eudml.org/doc/78340>.

@article{LeBris1994,
author = {Le Bris, Claude},
journal = {Annales de l'I.H.P. Analyse non linéaire},
keywords = {Hartree-Fock type theories; ground state},
language = {eng},
number = {4},
pages = {441-484},
publisher = {Gauthier-Villars},
title = {A general approach for multiconfiguration method sin quantum molecular chemistry},
url = {http://eudml.org/doc/78340},
volume = {11},
year = {1994},
}

TY - JOUR
AU - Le Bris, Claude
TI - A general approach for multiconfiguration method sin quantum molecular chemistry
JO - Annales de l'I.H.P. Analyse non linéaire
PY - 1994
PB - Gauthier-Villars
VL - 11
IS - 4
SP - 441
EP - 484
LA - eng
KW - Hartree-Fock type theories; ground state
UR - http://eudml.org/doc/78340
ER -

References

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  1. [1] E.H. Lieb and B. Simon, The Hartree-Fock theory for Coulomb systems, Comm. Math. Phys., 53, 1977, pp. 185-194. MR452286
  2. [2] P.L. Lions, Solutions of Hartree-Fock equations for Coulomb systems, Comm. Math. Phys., 109, 1987, pp. 33-97. Zbl0618.35111MR879032
  3. [3] A. Szabo and N.S. Ostlund, Modern quantum chemistry: an introduction to advanced electronic structure theory, Macmillan, New York, 1982. 
  4. [4] A.C. Wahl and G. Das, The Multiconfiguration self-consistent field method, in Methods of electronic structure theory, edited by H. F. Schaefer, Plenum Press, 1977. 
  5. [5] H.-J. Werner and W. Meyer, A quadratically convergent multiconfiguration-self consistent field method with simultaneous optimization of orbitals and CI coefficients, J. Chem. Phys., 73, 1980, pp. 2342-2356. MR583647

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