Complex multiconfigurational self-consistent field-based methods to investigate electron-atom/molecule scattering resonances

Advances in Chemical Physics

Volumn 150, Issue , 2013, Pages 103-142

  Samanta, Kousik ^a,b   Yeager, Danny L ^b  

^a TEXAS A AND M UNIVERSITY   (United States)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84897583957     PISSN: 00652385     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article

References (101)

1. G. J. Schulz, Rev. Mod. Phys., 45, 378-422 (1973).
2. G. J. Schulz, Rev. Mod. Phys., 45, 423-486 (1973).
3. J. N. Bardsley and M. A. Biondi, Adv. Atom. Mol. Phys., 6, 1-57 (1971).
4. H. Massey, Negative Ions, 3rd ed., Cambridge University Press, Cambridge, 1976.
5. R. Barrios, P. Skurski, and J. Simons, J. Phys. Chem. B, 106, 7991-7994 (2002).
6. J. Berdys, I. Anusiewicz, P. Skurski, and J. Simons, J. Phys. Chem. A, 108, 2999-3005 (2004).
7. J. Simons, Acc. Chem. Res., 39, 772-779 (2006).
8. J. Aguilar and J. M. Combes, Commun. Math. Phys., 22, 269-279 (1971).
9. E. Balslev and J. M. Combes, Commun. Math. Phys., 22, 280-294 (1971).
10. B. Simon, Commun. Math. Phys., 27, 1-9 (1972).
11. M. Berman, O. Walter, and L. S. Cederbaum, Phys. Rev. Lett., 50, 1979-1982 (1983).
12. S. Feuerbacher, T. Sommerfeld, R. Santra, and L. S. Cederbaum, J. Chem. Phys., 118, 6188-6199 (2003).
13. T. Sommerfeld, U. V. Riss, H.-D. Meyer, L. S. Cederbaum, B. Engels, and H. U. Suter, J. Phys. B, 31, 4107-4122 (1998).
14. N. Vaval and L. S. Cederbaum, J. Chem. Phys., 126, 164110 (2007).
15. P.-O. L̈owdin, J. Math. Phys., 24, 70-87 (1983).
16. P.-O. L̈owdin, Adv. Quantum Chem., 19, 87-138 (1988).
17. P.-O. L̈owdin, P. Froelich, and M. Mishra, Adv. Quantum Chem., 20, 185-237 (1989).
18. P.-O. L̈owdin, P. Froelich, and M. K. Mishra, Int. J. Quantum Chem., 36, 93-103 (1989).
19. C. W. McCurdy, Phys. Rev. A, 21, 464-470 (1980).
20. C. W. McCurdy and J. F. McNutt, Chem. Phys. Lett., 94, 306-310 (1983).
21. J. F. McNutt and C. W. McCurdy, Phys. Rev. A, 27, 132-140 (1983).
22. S. Yabushita and C. W. McCurdy, J. Chem. Phys., 83, 3547-3559 (1985).
23. C. W. McCurdy and T. N. Rescigno, Phys. Rev. Lett., 41, 1364-1368 (1978).
24. C. W. McCurdy, T. N. Rescigno, E. R. Davidson, and J. G. Lauderdale, J. Chem. Phys., 73, 3268-3273 (1980).
25. A. E. Orel, T. N. Rescigno, and C. W. McCurdy, Bull. Am. Phys. Soc., 25, 1120 (1980).
26. T. N. Rescigno and C. W. McCurdy, Bull. Am. Phys. Soc., 23, 1104 (1978).
27. T. N. Rescigno, C. W. McCurdy, and A. E. Orel, Phys. Rev. A, 17, 1931-1938 (1978).
28. T. N. Rescigno, A. E. Orel, and C. W. McCurdy, J. Chem. Phys., 73, 6347-6348 (1980).
29. M. Mishra, Y. Öhrn, and P. Froelich, Phys. Lett. A, 84, 4-8 (1981).
30. M. Mishra, O. Goscinski, and Y. Öhrn, J. Chem. Phys., 79, 5494-5504 (1983).
31. M. Mishra, H. A. Kurtz, and Y. Öhrn, J. Chem. Phys., 79, 1983-1902 (1983).
32. M. K. Mishra, O. Goscinski, and Y. Öhrn, J. Chem. Phys., 79, 5505-5511 (1983).
33. M. N. Medikeri, J. Nair, and M. K. Mishra, J. Chem. Phys., 99, 1869-1874 (1993).
34. M. N. Medikeri and M. K. Mishra, Int. J. Quantum Chem. Symp., 28, 29-37 (1994).
35. M. N. Medikeri and M. K. Mishra, Chem. Phys. Lett., 246, 26-32 (1995).
36. S. Mahalakshmi and M. K. Mishra, Chem. Phys. Lett., 296, 43-50 (1998).
37. A. Venkatnathan and M. K. Mishra, Chem. Phys. Lett., 296, 223-232 (1998).
38. A. Venkatnathan, M. K. Mishra, and H. J. A. Jensen, Theor. Chem. Acc., 104, 445-454 (2000).
39. S. Mahalakshmi, A. Venkatnathan, and M. K. Mishra, J. Chem. Phys., 115, 4549-4557 (2001).
40. A. Venkatnathan, S. Mahalakshmi, and M. K. Mishra, J. Chem. Phys., 115, 4549-4557 (2001).
41. M. K. Mishra and A. Venkatnathan, Int. J. Quantum Chem., 90, 1334-1347 (2002).
42. A.Venkatnathan and M. K. Mishra, in Frontiers in Atomic, Molecular and Optical Physics, 3, S. S. Bhattacharyya and S. C. Mukherjee, eds., 171-205, Allied Publishers, 2003.
43. Y. Sajeev, M. K. Mishra, N. Vaval, and S. Pal, J. Chem. Phys., 120, 67-72 (2004).
44. D. L. Yeager and M. K. Mishra, Int. J. Quantum Chem., 104, 871-879 (2005).
45. N. Moiseyev, R. Certain, and F. Weinhold, Int. J. Quantum Chem., 14, 727-736 (1978).
46. N. Moiseyev and C. Corcoran, Phys. Rev. A, 20, 814-817 (1979).
47. N. Moiseyev and S. Friedland, Phys. Rev. A, 22, 618-624 (1980).
48. N. Moiseyev, Phys. Rev. A, 24, 2824-2825 (1981).
49. N. Moiseyev, S. Friedland, and R. Certain, J. Chem. Phys., 74, 4739-4740 (1981).
50. N. Moiseyev, Chem. Phys. Lett., 99, 364-367 (1983).
51. N. Moiseyev and J. O. Hirschfelder, J. Chem. Phys., 88, 1063-1065 (1988).
52. N. Lipkin, N. Moiseyev, and E. Br̈andas, Phys. Rev. A, 40, 549-553 (1989).
53. N. Rom, E. Br̈andas, and N. Moiseyev, J. Chem. Phys., 93, 3413-3419 (1990).
54. N. Moiseyev, J. Phys. B, 31, 1431-1441 (1998).
55. N. Moiseyev, Phys. Rep., 31, 4107-4122 (1998).
56. R. A. Donnelly and J. Simons, J. Chem. Phys., 73, 2858-2866 (1980).
57. J. Simons, J. Chem. Phys., 73, 993 (1980).
58. J. Simons and K. D. Jordon, Chem. Rev., 87, 535-555 (1987).
59. B. Simon, Phys. Lett. A, 71, 211-214 (1979).
60. Y. Sajeev, R. Santra, and Pal, J. Chem. Phys., 122, 204110 (2005).
61. D. L. Yeager and P. Jørgensen, J. Chem. Phys., 71, 755-760 (1979).
62. D. L. Yeager, P. Albertsen, and P. Jørgensen, J. Chem. Phys., 73, 2811-2816 (1980).
63. P. Jørgensen, P. Swanstrøm, and D. L. Yeager, J. Chem. Phys., 78, 347-356 (1983).
64. J. Olsen, D. L. Yeager, and P. Jørgensen, Adv. Chem. Phys., 54, 1-176 (1983).
65. R. Graham, D. L. Yeager, J. Olsen, R. Jørgensen, R. Harrison, S. Zarrabian, and R. Bartlett, J. Chem. Phys., 85, 6544-6549 (1986).
66. A. Rizzo and D. L. Yeager, J. Chem. Phys., 93, 8011-8020 (1990).
67. G.Gamow, Constitution of Atomic and Nuclei and Radioactivity, Oxford University Press, Oxford, UK, 1931.
68. P. A. M. Dirac, The Principles of Quantum Mechanics, Clarendon Press, Oxford, UK, 1958.
69. E. Merzbacher, Quantum Mechanics, 3rd ed., Wiley, Hoboken, NJ, 1998.
70. A. J. F. Siegert, Phys. Rev., 56, 750-752 (1939).
71. P. G. Burke, Adv. Atom. Mol. Phys., 4, 173-219 (1968).
72. H.-D. Meyer and O. Walter, J. Phys. B, 15, 3647-3668 (1982).
73. P. Jørgensen and P. Simons, Second Quantization-Based Methods in Quantum Chemistry, Academic Press, New York, 1982.
74. T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory,Wiley, NewYork, 2000.
75. S. Raimes, Many Electron Theory, Academic Press, London, UK, 1973.
76. J.-P. Blaizot and G. Ripka, Quantum Theory of Finite Systems, MIT Press, Boston, MA, 1985.
77. K. Samanta and D. L. Yeager, J. Phys. Chem. B, 112, 16214-16219 (2008).
78. K. Samanta and D. L. Yeager, Int. J. Quantum Chem., 110, 798-812 (2010).
79. R. Fletcher, Practical Methods of Optimization, Wiley, New York, 1980.
80. J. T. Golab and D. L. Yeager, J. Chem. Phys., 87, 2925-2944 (1987).
81. R. L. Graham, D. L. Yeager, and A. Rizzo, J. Chem. Phys., 91, 5451-5454 (1989).
82. D. L. Yeager, in Applied Many-Body Methods in Spectroscopy and Electronic Structure, D. Mukherjee, ed., 133, Plenum, New York, 1992.
83. S. Mahalakshmi and D. L. Yeager, in Fundamental World of Quantum Chemistry: A Tribute to Per-Olov L̈owdin, 3, E. J. Br̈andas and E. S. Kryachko, eds., Kluwer Academic Publishers, Dordrecht, 2004, 547.
84. R. Saha, D. Ma, and D. L. Yeager, Int. J. Quantum Chem., 107, 694-702 (2007).
85. D. Ma and D. L. Yeager, Int. J. Quantum Chem., 108, 100-101 (2008).
86. D. Ma and D. L. Yeager, Int. J. Quantum Chem., 108, 1130-1136 (2008).
87. D. J. Rowe and C. Ngo-Trong, Rev. Mod. Phys., 47, 471-485 (1975).
88. M. E. Rose, Elementary Theory of Angular Momentum, Dover Publications, New York, 1957.
89. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, Dover Publications, New York, 1996.
90. H. A. Kurtz and Y. Öhrn, Phys. Rev. A, 19, 43-48 (1979).
91. T. H. Dunning, J. Chem. Phys., 90, 1007-1023 (1989).
92. R. A. Donnelly, Int. J. Quantum Chem. Symp., 16, 653-659 (1982).
93. H. A. Kurtz and K. D. Jordon, J. Phys. B 14, 4361-4376 (1981).
94. P. Krylstedt, M. Rittby, N. Elander, and E. Br̈andas, J. Phys. B, 20, 1295-1327 (1987).
95. P. Krylstedt, M. Rittby, N. Elander, and E. Br̈andas, J. Phys. B, 21, 3969-3988 (1988).
96. B. I. Schneider, M. Ledourneuf, and V. K. Lan, Phys. Rev. Lett., 43, 1926-1929 (1979).
97. B. I. Schneider, Phys. Rev. A, 24, 1-3 (1980).
98. J. S. Y. Chao, M. F. Falcetta, and K. D. Jordon, J. Chem. Phys., 93, 1125-1135 (1990).
99. H.-D. Meyer, Phys. Rev. A, 40, 5605-5613 (1989).
100. L. Dub́e and A. Herzenberg, Phys. Rev. A, 20, 194-213 (1979)
101. A. U. Hazi, T. N. Rescigno, and M. Kurila, Bull. Am. Phys. Soc., 24, 1171 (1979).