Get my PhD Thesis
Get my PhD Thesis
Get my PhD Thesis
Create successful ePaper yourself
Turn your PDF publications into a flip-book with our unique Google optimized e-Paper software.
30 W. B. Neilsen, Chem. Phys. Lett. 18, 225 (1973).<br />
31 M. C. Zerner and M. Hehenberger, Chem. Phys. Lett. 62, 550 (1979).<br />
32 G. Karlström, Chem. Phys. Lett. 67, 348 (1979).<br />
33 P. Pulay, Chem. Phys. Lett. 73, 393 (1980); P. Pulay, J. Comput. Chem. 3, 556 (1982).<br />
34 H. Sellers, Int. J. Quant. Chem. 45, 31 (1993).<br />
35 I. Hyla-Krispin, J. Demuynck, A. Strich et al., J. Chem. Phys. 75, 3954 (1981).<br />
36 E. Cancès and C. Le Bris, Int. J. Quant. Chem. 79, 82 (2000).<br />
37 K. N. Kudin, G. E. Scuseria, and E. Cancès, J. Chem. Phys. 116, 8255 (2002).<br />
38 L. Thøgersen, J. Olsen, D. Yeager et al., J. Chem. Phys. 121, 16 (2004).<br />
39 L. Thøgersen, J. Olsen, A. Köhn et al., J. Chem. Phys. 123, 074103 (2005).<br />
40 A. P. Rendell, Chem. Phys. Lett. 229, 204 (1994).<br />
41 H. Sellers, Chem. Phys. Lett. 180, 461 (1991); C. Kollmar, Int. J. Quant. Chem. 62, 617 (1997).<br />
42 V. R. Saunders and I. H. Hillier, Int. J. Quant. Chem. 7, 699 (1973).<br />
43 S. P. Bhattacharyya, Chem. Phys. Lett. 56, 395 (1978).<br />
44 R. Carbó, J. A. Hernández, and F. Sanz, Chem. Phys. Lett. 47, 581 (1977).<br />
45 E. Cancès and C. Le Bris, Math. Model. Num. Anal. 34, 749 (2000).<br />
46 T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic Structure Theory. (Wiley,<br />
Chichester, 2000).<br />
47 S. Goedecker, Rev. Mod. Phys. 71, 1085 (1999).<br />
48 A. M. N. Niklasson, Phys. Rev. B 66, 155115 (2002).<br />
49 E. Rubensson, Masters <strong>Thesis</strong>, Royal Institute of Technology (KTH), Stockholm, 2005.<br />
50 G. W. Stewart, Introduction to Matrix Computations. (Academic Press, inc., New York, 1973).<br />
51 J. W. Demmel, Applied Numerical Linear Algebra. (SIAM, 1997).<br />
52 R. Fletcher, Practical Methods of Optimization, 2nd ed. (Wiley, New York, 1987).<br />
53 G. Chaban, M. W. Schmidt, and M. S. Gordon, Theor. Chem. Acc. 97, 88 (1997); T. H. Fischer<br />
and J. E. Almlöf, J. Phys. Chem. 96, 9768 (1992).<br />
54 R. E. Stanton, J. Chem. Phys. 75, 5416 (1981).<br />
55 M. A. Natiello and G. E. Scuseria, Int. J. Quant. Chem. 26, 1039 (1984).<br />
56 P. Cizek and J. Paldus, J. Chem. Phys. 47, 3976 (1967); H. Fukutome, Int. J. Quant. Chem. 20,<br />
955 (1981); P. J. Thouless, Nucl. Phys. 21, 225 (1960).<br />
57 V. Bach, E. H. Lieb, M. Loss et al., Phys. Rev. Lett. 72, 2981 (1994); P.-L. Lions, Comm. Math.<br />
PHys. 109, 33 (1987).<br />
58 L. E. Dardenne, N. Makiuchi, L. A. C. Malbouisson et al., Int. J. Quant. Chem. 76, 600 (2000).<br />
59 A. Schafer, H. Horn, and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).<br />
60 A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 123, 014302 (2005); R. G. A.<br />
R. Maclagan and G. E. Scuseria, J. Chem. Phys. 106, 1491 (1997); I. Shim and K. A. Gingerich,<br />
Int. J. Quant. Chem. S23, 409 (1989).<br />
61 H. Larsen, P. Jørgensen, J. Olsen et al., J. Chem. Phys. 113, 8908 (2000).<br />
62 J. Olsen and P. Jørgensen, in Modern Electronic Structure Theory, Part II, edited by D. R.<br />
Yarkony (World Scientific, Singapore, 1995).<br />
63 J. Olsen and P. Jørgensen, J. Chem. Phys. 82, 3235 (1985).<br />
64 J. Olsen, H. J. Aa. Jensen, and P. Jørgensen, J. Comp. Phys. 74, 265 (1988).<br />
98