Accurate electric multipole moments for HCN and HCP from CCSD(T) calculations with large gaussian basis sets

Theoretical Chemistry Accounts

Volumn 93, Issue 3, 1996, Pages 131-140

  Maroulis, George ^a,b   Pouchan, Claude ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b UNIVERSITY OF PATRAS   (Greece)

Author keywords

Dipole moment; HCN HCP; Hexadecapole moment; Octopole moment; Quadrupole moment

Indexed keywords

EID: 7744245933     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf01113347     Document Type: Article

References (44)

1. Buckingham AD (1959) Quart Rev Chem Soc 13:183
2. Flygare WH (1974) Chem Rev 74:653
3. Gray CG, Gubbins KE (1984) Theory of molecular fluids, vol. 1: fundamentals. Oxford University Press, Oxford
4. Buckingham AD, Fowler PW (1985) Can J Chem 63:2018
5. Bulanin MO, Bulychev VP, Tokhadze KG (1988) Chem Phys Lett 144:231
6. Buckingham AD (1970) In: Eyring H, Henderson D, Jost W (eds) Physical chemistry. An advanced treatise, vol. 4. Molecular properties. Academic Press, New York, ch 8, p 349
7. Gready JE, Bacskay GB, Hush NS (1978) Chem Phys 31:467
8. Van Duijneveldt-Van de Rijdt JGCM, Van Duijneveldt FB (1982) J Mol Struct 89:185
9. Sokalski WA, Sawaryn A (1987) J Chem Phys 87:526
10. Dykstra CE, Liu SY, Malik DJ (1989) Adv Chem Phys 75:37
11. Kama SP, Bruna PJ, Grein F (1990) Can J Phys 68:499
12. Kraka E, Gauss J, Cremer D (1991) J Mol Struct 234:95
13. Chong DP (1992) Chin J Phys 30:115
14. Russel Thomas J, DeLeeuw BJ, Vacek G, Schaefer HF (1993) J Chem Phys 98:1336
15. Russel Thomas J, DeLeeuw BJ, Vacek G, Crawford TD, Yamaguchi Y, Schaefer HF (1993) J Chem Phys 99:403
16. Goldstein E, Jin S, Carrillo MR, Cave RJ (1993) J Comput Chem 14:186
17. Chen YT, Chong DP (1993) J Chem Phys Rev 99:8870
18. Bhattacharya BN, Gordy W (1960) Phys Rev 119:144
19. Tyler JK, Sheridan J (1963) Trans Faraday Soc 59:2661
20. Tyler JK (1964) J Chem Phys 40:1170
21. Gustafson S, Gordy W (1973) J Chem Phys 58:5181
22. Hartford SL, Allen WC, Norris CL, Pearson EF, Flygare WH (1973) Chem Phys Lett 18:153
23. DeLeon RL, Muenter JS (1984) J Chem Phys 80:3992
24. Maroulis G (1991) Chem Phys Lett 177:352
25. Maroulis G (1991) J Phys B 24:L117
26. Maroulis G (1992) Z Naturforsch 47A:480
27. Maroulis G (1992) Chem Phys 199:244
28. Maroulis G (1993) J Phys B 26:775
29. McLean AD, Yoshimine.M (1967) J Chem Phys 47:1927
30. Buckingham AD (1967) Adv Chem Phys 12:107
31. Urban M, Černušák I, Kellö, Noga J (1987) Methods Comp Chem 1:117
32. Maroulis G (1991) J Chem Phys 94:1182
33. Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479
34. Maroulis G (1995) Int J Quant Chem 55:173
35. Dunning TH Jr (1970) J Chem Phys 53:2383
36. Dunning TH Jr, Hay PJ (1977) In: Schaefer HF (ed) Methods of electronic structure theory. Plenum, New York
37. Partridge H (1989) J Chem Phys 90:1043
38. Partridge H (1989) J Chem Phys 87:6643
39. Maroulis G, Pouchan C (to be submitted)
40. Winnewisser G, Maki AG, Johnson DR (1971) J Mol Spectry 39:149
41. Strey G, Mills IM (1973) Mol Phys 26:129
42. Frisch MJ, Trucks GW, Head-Gordon M, Gill PMW, Wong MW, Foresman JB, Johnson BG, Schlegel HB, Robb MA, Replogle ES, Gomperts R, Andres JL, Raghavachari K, Binkley JS, Gonzalez C, Martin RL, Fox DJ, Defrees DJ, Baker J, Stewart JJP, Pople JA (1992) Gaussian 92 (Revision C). Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh
43. Bishop DM, Maroulis G (1985) J Chem Phys 82:2380
44. Bounds DG, Wilson S (1985) Mol Phys 54:445