A coupled-cluster approach to polarizabilities: Computational aspects

Journal of Computational Methods in Sciences and Engineering

Volumn 7, Issue 1, 2007, Pages 57-74

  Sahoo, B K ^a   Das, B P ^b   Chaudhuri, R K ^b   Mukherjee, D ^c  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

^b INDIAN INSTITUTE OF ASTROPHYSICS   (India)

^c DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

Ab initio method; polarizability

Indexed keywords

CALCULATIONS; CLUSTER ANALYSIS; COMPUTATION THEORY;

AB INITIO CALCULATIONS; AB INITIO METHOD; COMPUTATIONAL ASPECTS; COUPLED-CLUSTER APPROACH; ELECTRON CORRELATION EFFECT; POLARIZABILITIES; QUADRUPOLE POLARIZABILITIES; RELATIVISTIC COUPLED-CLUSTER THEORY;

NUMERICAL METHODS;

EID: 46349094072     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2007-7104     Document Type: Article

References (75)

1. Z.C. Yan, J.F. Babb, A. Dalgarno and G.F.W. Drake, Phys Rev A 54 (1996), 2824.
2. V.A. Dzuba, V.V. Flambaum and O.P. Sushkov, Phys Rev A 56 (1997), R4357.
3. J. Zeng, J. Yuan and Q. Lu, Phys Rev A 62 (1998), 022713.
4. E.L. Snow, M.A. Gearba, R.A. Komara, S.R. Lundeen and W.G. Sturrus, Phys Rev A 71 (2005), 022510.
5. S.G. Porsev and A. Derevianko, J Chem Phys 119 (2003), 844.
6. M.W.J. Bromley and J. Mitroy, (in press PRL) (physics/0610045) (2006).
7. M.S. Safronova, W.R. Johnson and A. Derevianko, Phys Rev A 60 (1999), 4476.
8. A. Derevianko, W.R. Johnson, M.S. Safronova and J.F. Babb, Phys Rev Lett 82 (1999), 3589.
9. R.M. Sternheimer, Phys Rev A 1 (1970), 321.
10. A. Dalgarno and J.T. Lewis, Proc R Soc London 233 (1955), 70.
11. T. Kobayashi, K. Sasagane and K.Y. Chi, Int J Quant Chem 65 (1997), 665.
12. S.H. Patil and K.T. Tang, J Chem Phys 106 (1997), 2298
13. Chem Phys Letts 301 (1999), 64.
14. W.M. Itano, J Research NIST 105 (2000), 829.
15. W.M. Itano, Phys Rev A 73 (2005), 022510.
16. C.S. Wood et al., Science 275 (1997), 1759.
17. E.S. Shuman and T.F. Gallagher, Phys Rev A 74 (2006), 022502.
18. I.S. Lim, M. Pernpointner, M. Seth, J.K. Laerdahl and P. Schwerdtfeger, Phys Rev A 60 (1999), 2822.
19. I.S. Lim et al., J Chem Phys 122 (2005), 104103.
20. A.J. Thakkar and C. Lupinetti, Chem Phys Letts 402 (2005), 270.
21. C. Zhu, A. Dalgarno, S.G. Porsev and A. Derevianko, Phys Rev A 70 (2004), 032722.
22. F. Maeder and W. Kutzelnigg, Chem Phys 42 (1979), 95.
23. G. Maroulis, Chem Phys Letts 334 (2001), 207.
24. B.K. Sahoo, R.K. Chaudhuri, B.P. Das and D. Mukherjee, Phys Rev Lett 96 (2006), 163003.
25. C. Sur, K.V.P. Latha, B.K. Sahoo, R. Chaudhuri, B.P. Das and D. Mukherjee, Phys Rev Lett 96 (2006), 193001.
26. I. Lindgen and J. Morrison, in: Atomic Many-Body Theory, G. Ecker, P. Lambropoulos and H. Walther, Springer-Verlag, Berlin, 1985.
27. A. Szabo and N.S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic structure theory, Dover Publications Inc., Mineola, New York, First edition(revised), 1996
28. X. Chu, A. Dalgarno and G.C. Groenenboom, Phys Rev A 72 (2005), 032703.
29. A. Jiemchooroj, P. Norman and B.E. Serbelius, J Chem Phys 125 (2006), 124306.
30. D. Mukherjee, R. Moitra and A. Mukhopadhyay, Mol. Physics 33 (1977), 955.
31. D. Mukherjee and S. Pal, Adv Quant Chem 20 (1989), 281.
32. I. Lindgren, A Coupled-Cluster Approach to the Many-Body Pertubation Theory for Open-Shell Systems, In Per-Olov lwdin and Yngve Ahrn, editors, Atomic, molecular, and solid-state theory, collision phenomena, and computational methods, International Journal of Quantum Chemistry, Quantum Chemistry Symposium 12, 33-58, John Wiley & Sons, March 1978.
33. A. Haque and U. Kaldor, Chem Phys Lett 117, 374; 120 (1985), 261.
34. F.A. Parpia, Integral Generation for Relativistic Multiconfiguration Dirac-Fock Calculations using Gaussian Basis Sets, Private Communication (2004); (Published elsewhere).
35. R.K. Chaudhuri, P.K. Panda and B.P. Das, Phys Rev A 59 (1999), 1187.
36. R.E. Stanton and S. Havriliak, J Phys B 81 (1984), 1910.
37. A.K. Mohanty and E. Clementi, Kinetically Balanced Geometric Gaussian Basis Set Calculations for Relativistic Many-Electron Atoms, Chapter 4 of Modern Techniques in Computational Chemistry, Ed. E. Clementi (1989).
38. H. De Vries et al., Nuclear Charge Density Distribution Parameters, Atomic Data and Nuclear Tables, 36 (1987), 502.
39. F.A. Parpia and A.K. Mohanty, Phys Rev A 46 (1992), 3735.
40. R.W. Molof, H.L. Schwartz, T.M. Miller and B. Bederson, Phys Rev A 10 (1974), 1131.
41. W.D. Hall and J.C. Zorn, Phys Rev A 10 (1974), 1141
42. G.E. Chamberlain, Phys Rev A 129 (1963), 677.
43. A. Miffre, M. Jacquery, M. Büchner, G. Trenec and J. Vigue, Phys Rev A 73 (2006), 011603(R).
44. D.V. Ponomarenko and A.F. Shestakov, Chem Phys Lett 210 (1993), 269.
45. G. Maroulis and A.J. Thakkar, J Phys B 22 (1989), 2439.
46. P.K. Mukherjee, R.K. Moitra and A. Mukherji, Int J Quant Chem V (1971), 637.
47. M.R. Flannery and A.L. Stewart, Proc Soc 82 (1963), 188.
48. P.J. Knowles and W.J. Meath, Che Phys Lett 124 (1986), 164.
49. J. Pipin and D.M. Bishop, Phys Rev A 45 (1992), 2736.
50. C. Laughlin, J Phys B 28 (1995), L701.
51. Z.-W. Wang and K.T. Chang, J Phys B 27 (1994), 855.
52. M. Merawa, M. Rerat and C. Pouchan, Phys Rev A 49 (1994), 2493.
53. J. Mitroy and M.W.J. Bromley, Phys Rev A 68 (2003), 052714.
54. M. Marinescu, H.R. Sadeghpour and A. Dalgarno, Phys Rev A 49 (1994), 982.
55. S.I. Themelis and C.A. Nicolaides, Phys Rev A 51 (1995), 2801.
56. D.V. Ponomarenko and A.F. Shestakov, Chem Phys Lett 49 (1977), 357.
57. D.R. Beck and C.A. Nicoaides, Chem Phys Lett 49 (1977), 357.
58. J.S. Sims, S.A. Hagstrom and J.R. Rumble, Jr., Phys Rev A 14 (1976), 576.
59. Mohammadou Mérawa and Michel Rérat, J Chem Phys 108 (1998), 7060.
60. U. Volz and H. Schmoranzer, Phys Scr T T65 (1996), 44.
61. P.W. Langhoff and R.P. Hurst, Phys Rev 139 (1965), A1415.
62. C.E. Theodosiou, L.J. Curtis and C.A. Nicolaides, Phys Rev A 52 (1995), 3677.
63. E.S. Chang and R.W. Nyoes, Astrophys J 269 (1983), L61
64. E.S. Chang, J Phys B 16 (1983), L539.
65. B.J. Lyons and T.F. Gallagher, Phys Rev A 57 (1998), 2426.
66. S.I. Easa and G.C. Shukla, J Phys (Paris) 40 (1979), 137.
67. B. Kundu, D. Ray and P.K. Mukherjee, Phys Rev A 34 (1982), 62.
68. I.S. Lim and P. Schwerdtfeger, Phys Rev A 70 (2004), 062501.
69. S.A. Adelman and A. Szabo, J Chem Phys 58 (1973), 687.
70. A.G. Vaidyanathan et al., Phys Rev A 26 (1982), 3346.
71. G.D. Mahan, Phys Rev A 22 (1980), 1780.
72. D. Spelsberg, T. Lorenz and W. Meyer, J Chem Phys 99 (1993), 7845.
73. L.J. Curtis, Phys Rev A 23 (1981), 362.
74. J. Stiehler and J. Hinze, J Phys B 28 (1995), 4055.
75. P. Schwerdtfeger, Atomic static dipole polarizabilities in Atoms, Molecules and Clusters in Electric Fields Ed. by G. Maroulis, Imperial College Press, London, 2006.