398
Références
91. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S.
Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J.
Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo,
S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma,
D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski,
J.V. Ortiz, B.B. Stefanov, G. liu, A. Liashenko, P. Piskorz, I. Kpmaromi, G.
Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A.
Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W.
Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle and J.A.
Pople, Gaussian 98 (Revision A.7), Gaussian Inc., Pittsburgh PA 1998.
92. A. Gerschel, Liaisons intermoléculaires, les forces en jeu dans la matière
condensée, InterEditions/CNRS Editions 1995.
93. D. Gilbarg and N.S. Trudinger, Elliptic partial differential equations of second
order, 3rd edition, Springer 1998.
94. P.M.W. Gill, Molecular integrals over gaussian basis functions, Adv. Quantum
Chem. 25 (1994) 141–205.
95. S. Goedecker, Linear scaling electronic structure methods, Rev. Mod. Phys. 71
(1999) 1085–1123.
96. G.H. Golub and C.F. Van Loan, Matrix computations, North Oxford Academic
1986.
97. L. Greengard and V. Rokhlin, A new version of the fast multipole method for the
Laplace equation in three dimensions, Acta Numerica 6, Cambridge University
Press 1997, 229–269.
98. W. Hackbusch, Integral equations - Theory and numerical treatment,
Birkhäuser Verlag 1995.
99. G.A. Hagedorn, A time-dependent Born-Oppenheimer approximation, Commun. Math. Phys. 77 (1980) 77–93.
100. G.A. Hagedorn, Crossing the interface between Chemistry and Mathematics,
Notices of the AMS 43 (1996) 297–299.
101. E. Hairer, C. Lubich, and G.Wanner, Geometric numerical integration,
Springer 2002.
102. E. Hairer, S.P. Norsett and G. Wanner Solving ordinary differential equations
I, 2nd edition, Springer 1993.
103. E. Hairer and G. Wanner Solving ordinary differential equations II, 2nd edition,
Springer 1996.
104. B.L. Hammond, W.A. Lester Jr. and P.J. Reynolds, Monte-Carlo methods in
ab initio quantum chemistry, World Scientific 1994.
105. D.R. Hartree, The calculation of atomic structures, Wiley 1957.
106. W.J. Hehre, L. Radom, P.v.R. Schleyer and J.A. Pople, Ab initio molecular
orbital theory, Wiley 1986.
107. J. Hinze and C.C.J. Roothaan, Multi-configuration self-consistent-field theory,
Progress Theoret. Phys. Suppl. 40 (1967) 37–51.
108. M.R. Hoffmann and H.F. Schaefer, A full coupled-cluster single double and
triple models for the description of electron correlation, Adv. Quantum Chem.
18 (1986) 207–279.
Références
91. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S.
Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J.
Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo,
S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma,
D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski,
J.V. Ortiz, B.B. Stefanov, G. liu, A. Liashenko, P. Piskorz, I. Kpmaromi, G.
Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A.
Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W.
Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle and J.A.
Pople, Gaussian 98 (Revision A.7), Gaussian Inc., Pittsburgh PA 1998.
92. A. Gerschel, Liaisons intermoléculaires, les forces en jeu dans la matière
condensée, InterEditions/CNRS Editions 1995.
93. D. Gilbarg and N.S. Trudinger, Elliptic partial differential equations of second
order, 3rd edition, Springer 1998.
94. P.M.W. Gill, Molecular integrals over gaussian basis functions, Adv. Quantum
Chem. 25 (1994) 141–205.
95. S. Goedecker, Linear scaling electronic structure methods, Rev. Mod. Phys. 71
(1999) 1085–1123.
96. G.H. Golub and C.F. Van Loan, Matrix computations, North Oxford Academic
1986.
97. L. Greengard and V. Rokhlin, A new version of the fast multipole method for the
Laplace equation in three dimensions, Acta Numerica 6, Cambridge University
Press 1997, 229–269.
98. W. Hackbusch, Integral equations - Theory and numerical treatment,
Birkhäuser Verlag 1995.
99. G.A. Hagedorn, A time-dependent Born-Oppenheimer approximation, Commun. Math. Phys. 77 (1980) 77–93.
100. G.A. Hagedorn, Crossing the interface between Chemistry and Mathematics,
Notices of the AMS 43 (1996) 297–299.
101. E. Hairer, C. Lubich, and G.Wanner, Geometric numerical integration,
Springer 2002.
102. E. Hairer, S.P. Norsett and G. Wanner Solving ordinary differential equations
I, 2nd edition, Springer 1993.
103. E. Hairer and G. Wanner Solving ordinary differential equations II, 2nd edition,
Springer 1996.
104. B.L. Hammond, W.A. Lester Jr. and P.J. Reynolds, Monte-Carlo methods in
ab initio quantum chemistry, World Scientific 1994.
105. D.R. Hartree, The calculation of atomic structures, Wiley 1957.
106. W.J. Hehre, L. Radom, P.v.R. Schleyer and J.A. Pople, Ab initio molecular
orbital theory, Wiley 1986.
107. J. Hinze and C.C.J. Roothaan, Multi-configuration self-consistent-field theory,
Progress Theoret. Phys. Suppl. 40 (1967) 37–51.
108. M.R. Hoffmann and H.F. Schaefer, A full coupled-cluster single double and
triple models for the description of electron correlation, Adv. Quantum Chem.
18 (1986) 207–279.