Meaning and magnitude of the reduced density matrix cumulants

Chemical Physics

Volumn 401, Issue , 2012, Pages 50-61

  Hanauer, Matthias ^a   Köhn, Andreas ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

Cumulants; Multireference; Nitrogen dissociation; Sodium clusters; Transition metal complex

Indexed keywords

EID: 84861831749     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.09.024     Document Type: Article

References (67)

1. D. Mukherjee E. Schachinger, H. Mitter, H. Sormann, Recent Progress in Many-Body Theories vol.4 1995 Springer Berlin 127 133
2. D. Mukherjee Chem. Phys. Lett. 274 1997 561
3. U.S. Mahapatra, B. Datta, B. Bandyopadhyay, and D. Mukerjee Adv. Quantum Chem. 30 1998 163
4. D. Datta, L. Kong, and M. Nooijen J. Chem. Phys. 134 2011 214116
5. W. Kutzelnigg, and D. Mukherjee J. Chem. Phys. 107 1997 432
6. W. Kutzelnigg, and D. Mukherjee J. Chem. Phys. 110 1999 2800
7. W. Kutzelnigg, and D. Mukherjee Chem. Phys. Lett. 317 2000 567
8. K.R. Shamasundar J. Chem. Phys. 131 2009 174109
9. W. Kutzelnigg, K.R. Shamasundar, and D. Mukherjee Mol. Phys. 108 2010 433
10. L. Kong, M. Nooijen, and D. Mukherjee J. Chem. Phys. 132 2010 234107
11. T. Yanai, and G.K.-L. Chan J. Chem. Phys. 127 2007 104107
12. E. Neuscamman, T. Yanai, and G.K.-L. Chan Int. Rev. Phys. Chem. 29 2010 231
13. L. Kong, K.R. Shamasundar, O. Demel, and M. Nooijen J. Chem. Phys. 130 2009 114101
14. D. Zgid, D. Ghosh, E. Neuscamman, and G.K.-L. Chan J. Chem. Phys. 130 2009 194107
15. F. Colmenero, and C. Valdemoro Int. J. Quantum Chem. 51 1994 369
16. H. Nakatsuji, and K. Yasuda Phys. Rev. Lett. 76 1996 1039
17. D.A. Mazziotti Phys. Rev. A 57 1998 4219
18. D.A. Mazziotti Phys. Rev. A 60 1999 3618
19. D. Mukherjee, and W. Kutzelnigg J. Chem. Phys. 114 2001 2047
20. W. Kutzelnigg, and D. Mukherjee J. Chem. Phys. 116 2002 4787
21. W. Kutzelnigg, and D. Mukherjee J. Chem. Phys. 120 2004 7340
22. W. Kutzelnigg, and D. Mukherjee J. Chem. Phys. 120 2004 7350
23. W. Kutzelnigg J. Chem. Phys. 125 2006 171101
24. A.C. Simmonett, J.J. Wilke, H.F. Schaefer III, and W. Kutzelnigg J. Chem. Phys. 133 2010 174122
25. F.E. Harris Int. J. Quantum Chem. 90 2002 105
26. M. Nooijen, M. Wladyslawski, and A. Hazra J. Chem. Phys. 118 2003 4832
27. J.M. Herbert Int. J. Quantum Chem. 107 2006 703
28. L. Kong, and E.F. Valeev J. Chem. Phys. 134 2011 214109
29. W. Kutzelnigg J. Rychlewski, Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications 2003 Kluwer Academic Publishers Dordrecht 3
30. D.A. Mazziotti Chem. Phys. Lett. 289 1998 419
31. D.A. Mazziotti Int. J. Quantum Chem. 70 1998 557
32. D.A. Mazziotti Phys. Rev. A 60 1999 4396
33. M. Kendall, A. Stuart, and J.K. Ord Kendalls Advanced Theory of Statistics fifth ed. 1987 Charles Griffin London
34. C.W. Gardiner Handbook of Stochastic Methods for Physics second ed. Chemistry and the Natural Sciences 1985 Springer Berlin
35. R. Kubo J. Phys. Soc. Jpn. 17 1962 1100
36. A. Coleman, and I. Absar Int. J. Quantum Chem. 18 1980 1279
37. J.E. Harriman Phys. Rev. A 65 2002 052507
38. I. Lindgren Int. J. Quantum Chem. S12 1978 33
39. E. Meeron J. Chem. Phys. 27 1957 1238
40. M.B. Ruskai J. Math. Phys. 11 1970 3218
41. J. von Neumann Mathematische Grundlagen der Quantenmechanik 1932 Springer Berlin
42. R.C. Tolman The Principles of Statistical Mechanics first ed. 1962 Oxford University Press Oxford
43. P.A.M. Dirac Proc. R. Soc. Lond. Ser. A 180 1942 1
44. E.P. Wigner Phys. Rev. 40 1932 749
45. M. Hillery, R.F. O'Connell, M.O. Scully, and E.P. Wigner Phys. Rep. 106 1984 121
46. R.P. Feynman B.J. Hiley, F.D. Peat, Quantum Implications: Essays in Honour of David Bohm 1987 Routledge London 235
47. T. Helgaker, P. Jørgensen, and J. Olsen Molecular Electronic-Structure Theory 2000 John Wiley and Sons Ltd. Chichester
48. J.L. Teugels J. Multivariate Anal. 32 1990 256
49. B. Sturmfels, P. Zwiernik, ; See , 2011.
50. C. Genest, R. Lockhart, and M. Stephens J. R. Stat. Soc. D. Stat. 51 2002 243
51. S. Guiasu Phys. Rev. A 36 1987 1971
52. J.E. Harriman Phys. Rev. A 75 2007 032513
53. L. Kong Int. J. Quantum Chem. 111 2011 3541
54. DALTON, A molecular electronic structure program, Release 2.0. See , 2005.
55. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery J. Comput. Chem. 14 1993 1347
56. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
57. P. Pulay, and T.P. Hamilton J. Chem. Phys. 88 1988 4926
58. O. Demel, and J. Pittner J. Chem. Phys. 124 2006 144112
59. P. Widmark, B. Roos, and P.E.M. Siegbahn J. Phys. Chem. 89 1985 2180
60. J.M. Bofill, and P. Pulay J. Chem. Phys. 90 1989 3637
61. J. Pilme, B. Silvi, and M. Alikhani J. Phys. Chem. A 109 2005 10028
62. D. Feller J. Comput. Chem. 17 1996 1571
63. K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li, and T.L. Windus J. Chem. Inf. Model. 47 2007 1045
64. V. Bonačić-Koutecký, J. Pittner, C. Scheuch, M.F. Guest, and J. Koutecký J. Chem. Phys. 96 1999 7938
65. V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký Chem. Phys. Lett. 166 1990 32
66. V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký Chem. Rev. 91 1991 1035
67. F. Bernardi, A. Bottoni, J.J.W. Mcdouall, M.A. Robb, and H.B. Schlegel Faraday Symp. Chem. Soc. 19 1984 137