Explicitly correlated electronic structure theory

Solving the Schrodinger Equation: Has Everything been Tried?

Volumn , Issue , 2011, Pages 25-42

  Manby, Frederick R ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE THEORY;

ELECTRONIC STRUCTURE;

EID: 84902206651     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1142/9781848167254_0002     Document Type: Chapter

References (61)

1. B. Klahn and W.A. Bingel, Theo. Chim. Acta 44, 9 (1977).
2. B. Klahn and W.A. Bingel, Theo. Chim. Acta 44, 27 (1977).
3. P.-O. Löwdin, Phys. Rev. 97, 1474 (1955).
4. E.J. Baerends, D.E. Ellis, and P. Ros, Chem. Phys. 2, 41 (1973).
5. T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
6. T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997).
7. R.G. Parr and W. Yang, Density-functional theory of atoms and molecules (Oxford University Press, NewYork, 1994).
8. W. Koch and M.C. Holthausen, A Chemist's Guide to Density Functional Theory (Wiley-VCH, NewYork, 2000).
9. F. Furche, J. Chem. Phys. 129, 114105 (2008).
10. J. Harl and G. Kresse, Phys. Rev. Lett. 103, 1 (2009).
11. B.G. Janesko, T.M. Henderson, and G.E. Scuseria, J. Chem. Phys. 130, 081105 (2009).
12. R.J. Bartlett, Chem. Phys. Lett. 484, 1 (2009).
13. E.A. Hylleraas, Z. Phys. 54, 347 (1929).
14. H. Hettema, Quantum Chemistry: Classic ScientificPapers, volume 8 of 20th Century Chemistry (World Scientific, Singapore, 2000), for an English translation of [13].
15. T. Helgaker and W. Klopper, Theor. Chim. Acta 103, 180 (1999), for a modern perspective on [13].
16. W. Klopper, F.R. Manby, S. Ten-no, and E.F. Valeev, Int. Rev. Phys. Chem. 25, 427 (2006).
17. T. Helgaker, W. Klopper, and D.P. Tew, Mol. Phys. 106, 2107 (2008).
18. D. Tew, C.Hättig, R. Bachorz, and W.Kopper, in Recent Progress in Coupled Cluster Methods edited by P. Cársky, J. Paldus, and J. Pittner (Springer, Dordrecht, 2010), 535-572.
19. H.-J.Werner, T.B. Adler, G. Knizia, and F.R. Manby, in Recent Progress in Coupled Cluster Methods edited by P. Cársky, J. Paldus, and J. Pittner (Springer, Dordrecht, 2010), 573-620.
20. F. Jensen, Introduction to Computational Chemistry (JohnWiley&Sons, Chichester, second edition, 2007).
21. A. Szabo and N.S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, NewYork, 1982).
22. T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic Structure Theory (John Wiley & Sons, Chichester, 2000).
23. W. Klopper and W. Kutzelnigg, Chem. Phys. Lett. 134, 17 (1987).
24. W. Klopper and W. Kutzelnigg, J. Phys. Chem. 94, 5625 (1990).
25. W. Kutzelnigg and W. Klopper, J. Chem. Phys. 94, 1985 (1991).
26. V. Termath, W. Klopper, and W. Kutzelnigg, J. Chem. Phys. 94, 2002 (1991).
27. W. Klopper and W. Kutzelnigg, J. Chem. Phys. 94, 2020 (1991).
28. W. Klopper, Chem. Phys. Lett. 186, 583 (1991).
29. W. Klopper and C.C.M. Samson, J. Chem. Phys. 116, 6397 (2002).
30. H.-J.Werner, T.B. Adler, and F.R. Manby, J. Chem. Phys. 126, 164102 (2007).
31. S. Ten-no, J. Chem. Phys. 126, 014108 (2007).
32. J. Noga, W. Kutzelnigg, and W. Klopper, Chem. Phys. Lett. 199, 497 (1992).
33. J. Noga and W. Kutzelnigg, J. Chem. Phys. 101, 7738 (1994).
34. T. Shiozaki, M. Kamiya, S. Hirata, and E.F. Valeev, Phys. Chem. Chem. Phys. 10, 3358 (2008).
35. T. Shiozaki, M. Kamiya, S. Hirata, and E.F. Valeev, J. Chem. Phys. 129, 071101 (2008).
36. A. Köhn, G.W. Richings, and D.P. Tew, J. Chem. Phys. 129, 201103 (2008).
37. H. Fliegl, W. Klopper, and C. Hättig, J. Chem. Phys. 122, 084107 (2005).
38. D.P. Tew, W. Klopper, C. Neiss, and C. Hättig, Phys. Chem. Chem. Phys. 9, 1921 (2007).
39. D.P. Tew, W. Klopper, and C. Hättig, Chem. Phys. Lett. 452, 326 (2008).
40. E.F. Valeev, Phys. Chem. Chem. Phys. 10, 106 (2008).
41. T.B. Adler, G. Knizia, and H.-J.Werner, J. Chem. Phys. 127, 221106 (2007).
42. G. Knizia, T.B. Adler, and H.-J.Werner, J. Chem. Phys. 130, 054104 (2009).
43. C. Hättig, D.P. Tew, and A. Köhn, J. Chem. Phys. 132, 231102 (2010).
44. T. Shiozaki, M. Kamiya, S. Hirata, and E.F. Valeev, J. Chem. Phys. 130, 054101 (2009).
45. T. Shiozaki, E.F. Valeev, and S. Hirata, J. Chem. Phys. 131, 044118 (2009).
46. A. Köhn, J. Chem. Phys. 130, 131101 (2009).
47. H.-J.Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, et al., Molpro, version 2009.1, a package of ab initio programs, 2009, see http://www.molpro.net.
48. TURBOMOLE V6.2 2010, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com.
49. S. Höfener, D.P. Tew, W. Klopper, and T. Helgaker, Chem. Phys. 356, 25 (2009).
50. J.C. Slater and J.G. Kirkwood, Phys. Rev. 37, 682 (1931).
51. S.F. Boys and N.C. Handy, Proc. Roy. Soc. A309, 209 (1969).
52. S.F. Boys and N.C. Handy, Proc. Roy. Soc. A310, 43 (1969).
53. F.R. Manby and P.J. Knowles, Chem. Phys. Lett. 310, 561 (1999).
54. A.J. May, E. Valeev, R. Polly, and F.R. Manby, Phys. Chem. Chem. Phys. 7, 2710 (2005).
55. E.F. Valeev, J. Chem. Phys. 125, 244106 (2006).
56. F.R. Manby, J. Chem. Phys. 119, 4607 (2003).
57. B.I. Dunlap, Phys. Chem. Chem. Phys. 2, 2113 (2000).
58. A.J. May and F.R. Manby, J. Chem. Phys. 121, 4479 (2004).
59. M. Schütz and F.R. Manby, Phys. Chem. Chem. Phys. 5, 3349 (2003).
60. J. Noga and R.J. Bartlett, J. Chem. Phys. 86, 7041 (1987).
61. P.E. Maslen, A.D. Dutoi, M.S. Lee, Y. Shao, and M. Head-Gordon, Mol. Phys. 103, 425 (2005).