Polarized basis sets for high-level-correlated calculations of molecular electric properties VII. Elements of the group Ib: Cu, Ag, Au

Theoretical Chemistry Accounts

Volumn 93, Issue 2, 1996, Pages 101-129

  Neogrády, Pavel ^a   Kellö, Vladimir ^a   Urban, Miroslav ^a   Sadlej, Andrzej J ^b  

^a Comenius University ^*  (Slovakia)

^b LUND UNIVERSITY   (Sweden)

Author keywords

Dipole polarizabilities of Cu, Ag, and Au; Dipole polarizabilities of Cu+, Ag+, and Au+; Electron correlation effects on atomic electric properties; Polarized basis sets; Relativistic effects on atomic electric properties

Indexed keywords

EID: 0040975149     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (67)

1. Buckingham AD (1967) Adv Chem Phys 12:107;
2. Buckingham AD (1978) In: Pullman B (ed) Intermolecular interactions. From diatomics to polymers. Wiley, New York 1:1
3. Chalasiński G, Gutowski M (1988) Chem Rev 88:943
4. Duijneveldt-van der Rijdt JGCM, van Duijneveldt FB (1982) J Mol Struct (Theochem) 89:185
5. Werner H-J, Meyer W (1976) Phys Rev 13:13; Werner H-J, Meyer W (1976) Mol Phys 31:855
6. Werner H-J, Meyer W (1976) Phys Rev 13:13; Werner H-J, Meyer W (1976) Mol Phys 31:855
7. Sadlej AJ (1988) Coll Czech Chem Commun 53:1995, Part I of this series
8. Sadlej AJ (1991) Theor Chim Acta 79:123, Part II of this series
9. Sadlej AJ, Urban M (1991) J Mol Struct (Theochem) 234:147, Part III of this series
10. Sadlej AJ (1991) Theor Chim Acta 81:45, Part IV of this series
11. Sadlej AJ (1991) Theor Chim Acta 81:339, Part V of this series
12. Kellö V and Sadlej AJ (1992) Theor Chim Acta 83:351, Part VI of this series
13. Kellö V, Sadlej AJ (1995) Theor Chim Acta (in press), Part VIII of this series
14. Kellö V, Sadlej AJ (1995) Theor Chim Acta in press), (1995) J Chem Phys (in press)
15. Kellö V, Sadlej AJ (1995) Theor Chim Acta in press), (1995) J Chem Phys (in press)
16. Andersson K, Malmqvist P-Å, Roos BO, Sadlej AJ, Wolinski K (1990) J Phys Chem 94:5483
17. Andersson K, Malmqvist P-Å, Roos B (1992) J Chem Phys 96:1218
18. Roos BO (1987) Adv Chem Phys 69:399
19. Urban M, Černušák I, Kellö V, Noga J (1987) In: Wilson S (ed) Methods in computational chemistry, vol 1. Plenum Press, NY, p 117, and references therein
20. Neogrády P, Urban M, Hubač I (1992) J Chem Phys 97:5074
21. Neogrády P, Urban M, Hubač I (1994) J Chem Phys 100:3706
22. Neogrády P, Urban M (1995) Int J Quantum Chem (in press) and references therein
23. Kellö V, Sadlej AJ (1990) J Chem Phys 93:8112
24. Sadlej AJ, Urban M (1991) Chem Phys Lett 176:293
25. Andersson K, Sadlej AJ (1992) Phys Rev A 46:2356
26. Adamowicz L, Bartlett RJ (1987) J Chem Phys 86:6314; Adamowicz L, Bartlett RJ, Sadlej AJ (1988) J Chem Phys 88:5749
27. Adamowicz L, Bartlett RJ (1987) J Chem Phys 86:6314; Adamowicz L, Bartlett RJ, Sadlej AJ (1988) J Chem Phys 88:5749
28. Jensen HJA, Jørgensen P, Ågren H, Olsen J (1988) J Chem Phys 88:3834; 88:5354
29. Bartlett RJ (1989) J Phys Chem 90:4356
30. Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479
31. Lee TJ, Rendell AP, Taylor PR (1990) J Phys Chem 94:5463
32. Rittby M, Bartlett RJ (1988) J Phys Chem 92:3033; Watts JD, Gauss J, Bartlett RJ (1993) J Chem Phys 98:8718
33. Rittby M, Bartlett RJ (1988) J Phys Chem 92:3033; Watts JD, Gauss J, Bartlett RJ (1993) J Chem Phys 98:8718
34. Watts JD, Urban M, Bartlett RJ (1995) Theor Chim Acta 90:341
35. Pyykkö P (1988) Chem Rev 88:563
36. Cowan RD, Griffin DC (1976) J Opt Soc Am 66:1010; Martin RL (1983) J Phys Chem 87:750
37. Cowan RD, Griffin DC (1976) J Opt Soc Am 66:1010; Martin RL (1983) J Phys Chem 87:750
38. Sadlej AJ, Urban M, Gropen O (1991) Phys Rev A 44:5547
39. Kellö V, Sadlej AJ, Faegri Jr K (1993) Phys Rev A 47:1715
40. Sadiej AJ (1991) J Chem Phys 95:2614
41. Andersson K, Blomberg MRA, Fülscher M, Kellö V, Lindh R, Malmqvist P-Å, Noga J, Olsen J, Roos BO, Sadlej AJ, Siegbahn PEM, Urban M, Widmark P-O (1991) MOLCAS system of quantum chemistry programs, release 2. Theoretical Chemistry, University of Lund, Lund Sweden and IBM Sweden
42. Lee TJ, Rendell AP, Rice JE (1991) TITAN, a set of electronic structure programs included in the MOLCAS system.
43. Huzinaga S (1971) Technical Report, Department of Chemistry, University of Alberta, Edmonton, Canada
44. Gropen O (1987) J Comp Chem 7:982
45. Woliński K, Sadlej AJ, Karlström (1991) Mol Phys 72:425
46. Reffenetti RC (1973) J Chem Phys 58:4452
47. Almlöf J, Taylor PR (1987) J Chem Phys 86:4070
48. Widmark P-O, Malmquist P-Å, Roos BO (1990) Theor Chim Acta 77:291
49. Widmark P-O, Person JB, Roos BO (1991) Theor Chim Acta 79:419
50. Müller W, Fleisch J, Meyer W (1984) J Chem Phys 80:3297
51. Balasubramanian K, Pitzer KS (1987) Adv Chem Phys 67:287 and references therein; see also Ref. [53]
52. Kutzelnigg W (1989) Z Phys D 11:15; (1990) 15:27
53. Kutzelnigg W (1989) Z Phys D 11:15; (1990) 15:27
54. Andersson K, Borowski P, Fowler PW, Malmqvist P-Å, Roos BO, Sadlej AJ (1992) Chem Phys Lett 190:367
55. Schwerdtfeger P, Bowmaker GA (1994) J Chem Phys 100:4487
56. Teachout RR, Pack RT (1971) Atomic Data 3:195
57. Miller TM, Bederson B (1988) Adv At Mol Phys 25:37
58. Kirkwood JG (1932) Phys Z 33:57; Pople JA, Schofield P (1957) Phil Mag 2:591
59. Kirkwood JG (1932) Phys Z 33:57; Pople JA, Schofield P (1957) Phil Mag 2:591
60. Sadlej AJ (1980) Mol Phys 40:509
61. Dolg M, Wedig H, Stoll H, Preuss H (1987) J Chera Phys 88:866; Schwerdlfeger P, Dolg M, Schwarz WHE, Bowmaker GA, Boyd PDW (1989) 91:1762
62. Dolg M, Wedig H, Stoll H, Preuss H (1987) J Chera Phys 88:866; Schwerdlfeger P, Dolg M, Schwarz WHE, Bowmaker GA, Boyd PDW (1989) 91:1762
63. Schwerdtfeger P, Li J, Pyykkö P (1994) Theor Chim Acta 87:313
64. Desclaux JP, Laaksonen L, Pyykko P (1981) J Phys B 14:419
65. Faegri Jr K, Saue T, Sadlej AJ (to be published)
66. Fowler PW, Sadlej AJ (1991) Mol Phys 73:43
67. Neogrády P, Urban M, Sadlej AJ (1995) J Mol Struct (Theochem) 332:197