Références
399
109. P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136 (1964)
B864–B871.
110. B. Honig and A. Nicholls, Classical electrostatics in Biology and Chemistry,
Science 268 (1995) 1144–1149.
111. S. Huzinaga, Gaussian basis sets for molecular calculations, Elsevier 1984.
112. R. J. Iorio, Jr and D. Marchesin, On the Schrödinger equation with timedependent electric fields, Proc. Royal Soc. Edinburgh 96 (1984) 117–134.
113. H. Isozaki, On the existence of solutions to time-dependent Hartree-Fock equations, Res. Inst. Math. Sci. 19 (1983) 107–115.
114. R.O. Jones and O. Gunnarsson, The density functional formalism, its applications and prospects, Rev. Mod. Phys. 61 (1989) 689–746.
115. M.M. Karelson and M.C. Zerner, Theoretical treatment of solvent effects on
electronic spectroscopy, J. Phys. Chem. 96 (1992) 6949–6957.
116. T. Kato, Perturbation theory for linear operators, Springer 1980.
117. D.E. Keyes, Y. Saad and D.G. Truhlar (eds.), Domain-based parallelism and
problem decomposition methods in computational science and engineering,
SIAM 1995.
118. R.J. Kikuchi, Chem. Phys. 22 (1954) 148.
119. R.B. King and D.H. Rouvray (eds.), Graph theory and topology in chemistry,
Studies in Physical and Theoretical Chemistry 51, Elsevier 1987.
120. J.G. Kirkwood, Theory of solutions of molecules containing widely separated
charges with special application to amphoteric ions, J. Chem. Phys. 2 (1934)
351–361.
121. C. Kittel, Physique de l’état solide, 5
e édition, Dunod 1983.
122. B. Klahn and W.E. Bingel, The convergence of the Raighley-Ritz method in
Quantum Chemistry. 1- The criteria of convergence, Theoret. Chem. Acta 44
(1977) 9–26.
123. B. Klahn and W.E. Bingel, The convergence of the Raighley-Ritz method in
Quantum Chemistry. 2- Investigation of the convergence for special systems
of Slater, Gauss, and two-electrons functions, Theoret. Chem. Acta 44 (1977)
27–43.
124. B. Klahn and J.D. Morgan III, Rates of convergence of variational calculations
of expectation values, J. Chem. Phys. 81 (1984) 410–433.
125. A. Klamt and G. Schüürmann, COSMO : A new approach to dielectric screening in solvents with expressions for the screening energy and its gradient, J.
Chem. Soc. Perkin Trans. 2 (1993) 799–805.
126. M. Klein, A. Martinez, R. Seiler and X.P. Wang, On the Born-Oppenheimer
expansion for polyatomic molecules, Commun. Math. Phys. 143 (1992) 607–639.
127. W. Kohn, Theory of the insulating state, Phys. Rev. 133 (1964) A171–A181.
128. W. Kohn and L.J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140 (1965) A1133–A1138.
129. R. Kosloff, S.A. Rice, P. Gaspard, S. Tersigni, and D.J. Tannor, Wavepacket
dancing : achieving chemical selectivity by shaping light pulse, Chem. Phys. 139
(1989) 201–220.
399
109. P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136 (1964)
B864–B871.
110. B. Honig and A. Nicholls, Classical electrostatics in Biology and Chemistry,
Science 268 (1995) 1144–1149.
111. S. Huzinaga, Gaussian basis sets for molecular calculations, Elsevier 1984.
112. R. J. Iorio, Jr and D. Marchesin, On the Schrödinger equation with timedependent electric fields, Proc. Royal Soc. Edinburgh 96 (1984) 117–134.
113. H. Isozaki, On the existence of solutions to time-dependent Hartree-Fock equations, Res. Inst. Math. Sci. 19 (1983) 107–115.
114. R.O. Jones and O. Gunnarsson, The density functional formalism, its applications and prospects, Rev. Mod. Phys. 61 (1989) 689–746.
115. M.M. Karelson and M.C. Zerner, Theoretical treatment of solvent effects on
electronic spectroscopy, J. Phys. Chem. 96 (1992) 6949–6957.
116. T. Kato, Perturbation theory for linear operators, Springer 1980.
117. D.E. Keyes, Y. Saad and D.G. Truhlar (eds.), Domain-based parallelism and
problem decomposition methods in computational science and engineering,
SIAM 1995.
118. R.J. Kikuchi, Chem. Phys. 22 (1954) 148.
119. R.B. King and D.H. Rouvray (eds.), Graph theory and topology in chemistry,
Studies in Physical and Theoretical Chemistry 51, Elsevier 1987.
120. J.G. Kirkwood, Theory of solutions of molecules containing widely separated
charges with special application to amphoteric ions, J. Chem. Phys. 2 (1934)
351–361.
121. C. Kittel, Physique de l’état solide, 5
e édition, Dunod 1983.
122. B. Klahn and W.E. Bingel, The convergence of the Raighley-Ritz method in
Quantum Chemistry. 1- The criteria of convergence, Theoret. Chem. Acta 44
(1977) 9–26.
123. B. Klahn and W.E. Bingel, The convergence of the Raighley-Ritz method in
Quantum Chemistry. 2- Investigation of the convergence for special systems
of Slater, Gauss, and two-electrons functions, Theoret. Chem. Acta 44 (1977)
27–43.
124. B. Klahn and J.D. Morgan III, Rates of convergence of variational calculations
of expectation values, J. Chem. Phys. 81 (1984) 410–433.
125. A. Klamt and G. Schüürmann, COSMO : A new approach to dielectric screening in solvents with expressions for the screening energy and its gradient, J.
Chem. Soc. Perkin Trans. 2 (1993) 799–805.
126. M. Klein, A. Martinez, R. Seiler and X.P. Wang, On the Born-Oppenheimer
expansion for polyatomic molecules, Commun. Math. Phys. 143 (1992) 607–639.
127. W. Kohn, Theory of the insulating state, Phys. Rev. 133 (1964) A171–A181.
128. W. Kohn and L.J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140 (1965) A1133–A1138.
129. R. Kosloff, S.A. Rice, P. Gaspard, S. Tersigni, and D.J. Tannor, Wavepacket
dancing : achieving chemical selectivity by shaping light pulse, Chem. Phys. 139
(1989) 201–220.