Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 60, Issue 6, 1999, Pages 4439-4453

  Laerdahl, Jon K ^a   Schwerdtfeger, Peter ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001128807     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.60.4439     Document Type: Article

References (90)

1. T.D. Lee and C.N. Yang, Phys. Rev. 105, 1671 (1957).
2. C.S. Wu, E. Ambler, R.W. Hayward, D.D. Hoppes, and R.P. Hudson, Phys. Rev. 105, 1413 (1957).
3. S.L. Glashow, Nucl. Phys. 22, 579 (1961)
4. S. Weinberg, Phys. Rev. Lett. 19, 1264 (1967)
5. A. Salam, in Nobel Symposium, edited by N. Svartholm (Almquist and Wiksell, Stockholm, 1968), Vol. 8.
6. M.A. Bouchiat and C. Bouchiat, Phys. Lett. B 48, 111 (1974).
7. M.A. Bouchiat and C. Bouchiat, J. Phys. (Paris) 35, 899 (1974).
8. M.A. Bouchiat and C. Bouchiat, J. Phys. (Paris) 36, 493 (1975).
9. P.A. Vetter, D.M. Meekhof, P.K. Majumder, S.K. Lamoreaux, and E.N. Fortson, Phys. Rev. Lett. 74, 2658 (1995).
10. M.J.D. Macpherson, K.P. Zetie, R.B. Warrington, D.N. Stacey, and J.P. Hoare, Phys. Rev. Lett. 67, 2784 (1991).
11. D.M. Meekhof, P. Vetter, P.K. Majumder, S.K. Lamoreaux, and E.N. Fortson, Phys. Rev. Lett. 71, 3442 (1993).
12. C.S. Wood, S.C. Bennett, D. Cho, B.P. Masterson, J.L. Roberts, C.E. Tanner, and C.E. Wieman, Science 275, 1759 (1997).
13. P.S. Drell and E.D. Commins, Phys. Rev. A 32, 2196 (1985).
14. Ya.B. Zel’dovich, Zh. Éksp. Teor. Fiz. 33, 1531 (1957) [Sov. Phys. JETP 6, 1184 (1958)].
15. V.V. Flambaum and I.B. Khriplovich, Zh. Éksp. Teor. Fiz. 79, 1656 (1980) [Sov. Phys. JETP 52, 835 (1980)];
16. V.V. Flambaum, I.B. Khriplovich, and O.P. Sushkov, Phys. Lett. B 146, 367 (1984).
17. M.A. Bouchiat and C. Bouchiat, Rep. Prog. Phys. 60, 1351 (1997).
18. S.C. Bennett and C.E. Wieman, Phys. Rev. Lett. 82, 2484 (1999)
19. Phys. Rev. Lett.S.C. BennettC.E. Wieman82, 4153 (1999).
20. S.A. Blundell, J. Sapirstein, and W.R. Johnson, Phys. Rev. D 45, 1602 (1992).
21. A.C. Hartley, E. Lindroth, and A.-M. Mårtensson-Pendrill, J. Phys. B 23, 3417 (1990).
22. V.A. Dzuba, V.V. Flambaum, and O.P. Sushkov, Phys. Lett. A 141, 147 (1989)
23. Phys. Lett. AV.A. DzubaV.V. FlambaumO.P. Sushkov140, 493 (1989)
24. Phys. Lett. AV.A. Dzuba, V.V. Flambaum, A.Ya. Kraftmakher, and O.P. Sushkov, 142, 373 (1989).
25. P.G.H. Sandars, Phys. Scr. 36, 904 (1987)
26. Phys. Scr.P.G.H. SandarsT46, 16 (1993).
27. I. B. Khriplovich, Parity Nonconservation in Atomic Phenomena (Gordon and Breach, Amsterdam, 1991).
28. L.D. Barron, Chem. Soc. Rev. 15, 189 (1986).
29. D.W. Rein, J. Mol. Evol. 4, 15 (1974).
30. V.S. Letokhov, Phys. Lett. A 53, 275 (1975).
31. V. Prelog, Science 193, 17 (1976).
32. R.A. Hegstrom, D.W. Rein, and P.G.H. Sandars, J. Chem. Phys. 73, 2329 (1980).
33. D.W. Rein, R.A. Hegstrom, and P.G.H. Sandars, Phys. Lett. A 71, 499 (1979).
34. S.F. Mason and G.E. Tranter, Mol. Phys. 53, 1091 (1984).
35. S.F. Mason and G.E. Tranter, Proc. R. Soc. London, Ser. A 397, 45 (1985).
36. G.E. Tranter, Mol. Phys. 56, 825 (1985).
37. M. Quack, Chem. Phys. Lett. 132, 147 (1986).
38. M. Quack, Angew. Chem. Int. Ed. Engl. 28, 571 (1989).
39. M. Quack, J. Mol. Struct. 292, 171 (1993).
40. Ch. Daussy, T. Marrel, A. Amy-Klein, C.T. Nguyen, Ch.J. Bordé, and Ch. Chardonnet, Phys. Rev. Lett. 83, 1554 (1999).
41. R. N. Compton (private communication).
42. W.A. Bonner, Origins Life Evol. Biosphere 21, 59 (1991).
43. B.Ya. Zel’dovich, D.B. Saakyan, and I.I. Sobel’man, Pis’ma Zh. Éksp. Teor. Fiz. 25, 106 (1977) [JETP Lett. 25, 94 (1977)].
44. R.A. Harris and L. Stodolsky, Phys. Lett. B 78, 313 (1978).
45. J.K. Laerdahl, T. Saue, K. Fægri, Jr., and H.M. Quiney, Phys. Rev. Lett. 79, 1642 (1997).
46. H.M. Quiney, J.K. Laerdahl, K. Fægri, Jr., and T. Saue, Phys. Rev. A 57, 920 (1998).
47. A. Bakasov, T.-K. Ha, and M. Quack, in Chemical Evolution: Physics of the Origin and Evolution of Life. Proceedings of the Fourth Trieste Conference on Chemical Evolution, edited by J.Chela-Flores and F.Raulin (Kluwer, Dordrecht, 1996).
48. A. Bakasov, T.-K. Ha, and M. Quack, J. Chem. Phys. 109, 7263 (1998)
49. J. Chem. Phys.A. BakasovT.-K. HaM. Quack110, 6081 (1999).
50. A. Bakasov and M. Quack, Chem. Phys. Lett. 303, 547 (1999).
51. P. Lazzeretti and R. Zanasi, Chem. Phys. Lett. 279, 349 (1997).
52. R. Zanasi and P. Lazzeretti, Chem. Phys. Lett. 286, 240 (1998).
53. L. Wiesenfeld, Mol. Phys. 64, 739 (1988).
54. H.M. Quiney, H. Skaane, and I.P. Grant, Adv. Quantum Chem. 32, 1 (1998).
55. The calculated parity-violating energy shift of CHFClBr in Ref. 46 is too large, probably by orders of magnitude 64, due to the limited size of the basis set and the applied molecular geometry.
56. J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, and C. S. Pote, in Atomic and Molecular Physics, edited by K.-H. Hellwege and A. M. Hellwege, Landolt-Börnstein, New Series, Group II, Vol. 7 (Springer, Berlin, 1976).
57. W.J. Marciano and J.L. Rosner, Phys. Rev. Lett. 65, 2963 (1990)
58. Phys. Rev. Lett.W.J. MarcianoJ.L. Rosner68, 898 (1992).
59. A.L. Barra, J.B. Robert, and L. Wiesenfeld, Phys. Lett. A 115, 443 (1986)
60. A.L. BarraJ.B. RobertL. WiesenfeldEurophys. Lett. 5, 217 (1988)
61. A.L. Barra and J.B. Robert, Mol. Phys. 88, 875 (1996).
62. E.J. Baerends, W.H.E. Schwarz, P. Schwerdtfeger, and J.G. Snijders, J. Phys. B 23, 3225 (1990).
63. M. Pernpointner and P. Schwerdtfeger, Chem. Phys. Lett. 295, 347 (1998).
64. M. Pernpointner, P. Schwerdtfeger, and B. A. Hess, Int. J. Quantum Chem. (to be published).
65. W. Kutzelnigg, Z. Phys. D 15, 27 (1990).
66. K. G. Dyall, K. Fægri, Jr., and P. R. Taylor, in The Effects of Relativity in Atoms, Molecules and the Solid State, edited by S. Wilson, I. P. Grant, and B. L. Gyorffy (Plenum Press, New York, 1991).
67. I.P. Grant and H.M. Quiney, Adv. At. Mol. Phys. 23, 37 (1988).
68. T. Saue, K. Fægri, Jr., T. Helgaker, and O. Gropen, Mol. Phys. 91, 937 (1997).
69. L. Visscher and K.G. Dyall, At. Data Nucl. Data Tables 67, 207 (1997).
70. I. Lindgren and J. Morrison, Atomic Many-Body Theory (Springer, Berlin, 1986).
71. P. Hafner, J. Phys. B 13, 3297 (1980).
72. K.G. Dyall and K. Fægri, Jr., Chem. Phys. Lett. 174, 25 (1990).
73. J. K. Laerdahl, Ph.D. thesis, University of Oslo, 1997 (unpublished).
74. DIRAC, a relativistic ab initio electronic structure program, written by T. Saue, T. Enevoldsen, T. Helgaker, H. J. Aa. Jensen, J. K. Laerdahl, K. Ruud, J. Thyssen, and L. Visscher. See http://dirac.chem.sdu.dk
75. Dr. H. M. Quiney (private communication).
76. GAUSSIAN 98, Revision A. 5, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople (Gaussian, Inc., Pittsburgh, 1998).
77. W. Küchle, M. Dolg, H. Stoll, and H. Preuss, Mol. Phys. 74, 1245 (1991)
78. Mol. Phys.A. Bergner, M. Dolg, W. Küchle, H. Stoll, and H. Preuss, 80, 1431 (1993).
79. T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989)
80. J. Chem. Phys.R.A. Ken-dall, T.H. Dunning, Jr., and R.J. Harrison, 96, 6796 (1992).
81. H. Kiyonaga, K. Morihashi, and O. Kikuchi, J. Chem. Phys. 108, 2041 (1998).
82. V.S. Letokhov, Lett. Nuovo Cimento Soc. Ital. Fis. 20, 107 (1977).
83. E. Arimondo, P. Glorieux, and T. Oka, Opt. Commun. 23, 369 (1977).
84. O.N. Kompanets, A.R. Kukudzhanov, V.S. Letokhov, and L.L. Gervits, Opt. Commun. 19, 414 (1976).
85. C. Huber and G. Wächtershäuser, Science 281, 670 (1998).
86. W.J. Hehre, R.F. Stewart, and J.A. Pople, J. Chem. Phys. 51, 2657 (1969).
87. W.J. Hehre, R. Ditchfield, and J.A. Pople, J. Chem. Phys. 56, 2257 (1972)
88. J. Chem. Phys.R. Ditchfield, W.J. Hehre, and J.A. Pople, 54, 724 (1971)
89. P.C. Hariharan and J.A. Pople, Theor. Chem. Acta 28, 213 (1973).
90. A. Bauder, A. Beil, D. Luckhaus, F. Müller, and M. Quack, J. Chem. Phys. 106, 7558 (1997).