SCOPUS 정보 검색 플랫폼

Volumn 115, Issue 10, 2001, Pages 4463-4472

Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas-Kroll approximation

(4) Tsuchiya, T a Abe, M a Nakajima, T a Hirao, K a

a UNIVERSITY OF TOKYO (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; DIMERS; DISSOCIATION; GROUND STATE; HYDRIDES; HYDROGEN; KINEMATICS; LAWRENCIUM; PERTURBATION TECHNIQUES; SPECTROSCOPIC ANALYSIS;

BASIS SET SUPERPOSITION ERROR; DOUBLES COUPLED CLUSTER METHODS; RELATIVISTIC GAUSSIAN BASIS SETS; SELF CONSISTENT FIELD; THIRD ORDER DOUGLAS KROLL APPROXIMATION;

MOLECULAR DYNAMICS;

EID: 0035828316 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1390515 Document Type: Article

Times cited : (155)

References (82)

1
- 0000150536
- (1985) Comput. Phys. Rep. , vol.2 , pp. 279
- Huzinaga, S.¹

2
- 10844264917
- (1986) Chem. Rev. , vol.86 , pp. 681
- Davidson, E.R.¹ Feller, D.²

3
- 85050546063
- (1987) Adv. Chem. Phys. , vol.67 , pp. 439
- Wilson, S.¹

4
- 0003418036
- edited by D. R. Yarkony, Singapore; (World Scientific, Part II)
- (1999) Modern Electronic Structure Theory , pp. 725
- Helgaker, T.¹ Taylor, P.R.²

5
- 33748497962
- (1987) J. Chem. Phys. , vol.86 , pp. 4070
- Almlöf, J.¹ Taylor, P.R.²

6
- 0542375353
- (1991) Adv. Quantum Chem. , vol.22 , pp. 301
- Almlöf, J.¹ Taylor, P.R.²

7
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

8
- 0035870721
- (2001) J. Chem. Phys. , vol.114 , pp. 6526
- Yanai, T.¹ Nakajima, T.² Ishikawa, Y.³ Hirao, K.⁴

9
- 36149017177
- (1950) Phys. Rev. , vol.78 , pp. 29
- Foldy, L.L.¹ Wouthuysen, S.A.²

10
- 36148931496
- (1974) Ann. Phys. (N.Y.) , vol.82 , pp. 89
- Douglas, M.¹ Kroll, N.M.²

11
- 26544478463
- (1986) Phys. Rev. A , vol.33 , pp. 3742
- Hess, B.A.¹

12
- 0000110072
- (1989) Phys. Rev. A , vol.39 , pp. 6016
- Jansen, G.¹ Hess, B.A.²

13
- 0002528458
- (1989) Z. Phys. D: At., Mol. Clusters , vol.11 , pp. 15
- Kutzelnigg, W.¹

14
- 0002549168
- (1990) Z. Phys. D: At., Mol. Clusters , vol.15 , pp. 27
- Kutzelnigg, W.¹

15
- 0037880444
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

16
- 0022810794
- (1986) Phys. Scr. , vol.34 , pp. 394
- Chang, Ch.¹ Pelissier, M.² Durand, Ph.³

17
- 0000658362
- (1999) Chem. Phys. Lett. , vol.302 , pp. 383
- Nakajima, T.¹ Hirao, K.²

18
- 0034321295
- (2000) J. Chem. Phys. , vol.113 , pp. 7786
- Nakajima, T.¹ Hirao, K.²

19
- 0002594506
- (1993) Chem. Phys. Lett. , vol.201 , pp. 37
- Malli, G.L.¹ Da Silva, A.B.F.² Ishikawa, Y.³

20
- 36448999001
- (1994) J. Chem. Phys. , vol.101 , pp. 6829
- Malli, G.L.¹ Da Silva, A.B.F.² Ishikawa, Y.³

21
- 0030604341
- (1996) Chem. Phys. Lett. , vol.263 , pp. 775
- Jorge, F.E.¹ Bobbio, T.B.² Da Silva, A.B.F.³

22
- 0002662441
- (1995) Theor. Chim. Acta , vol.90 , pp. 27
- Minama, T.¹ Matsuoka, O.²

23
- 0000511636
- (1998) Phys. Rev. A , vol.57 , pp. 920
- Quiney, H.M.¹ Laerdahl, J.K.² Faegri K., Jr.³ Saue, T.⁴

24
- 0000164993
- (1999) J. Chem. Phys. , vol.110 , pp. 6208
- Aucar, G.A.¹ Saue, T.² Visscher, L.³ Jensen, H.J.A.⁴

25
- 0001648917
- (1997) Mol. Phys. , vol.91 , pp. 937
- Saue, T.¹ Faegri K., Jr.² Helgaker, T.³ Gropen, O.⁴

26
- 0031285830
- (1997) Theor. Chem. Acc. , vol.97 , pp. 177
- Laerdahl, J.K.¹ Saue, T.² Faegri K., Jr.³

27
- 7744234762
- (1996) Theor. Chim. Acta , vol.94 , pp. 39
- Dyall, K.G.¹ Faegri K., Jr.²

28
- 0032221823
- (1998) Theor. Chem. Acc. , vol.99 , pp. 366
- Dyall, K.G.¹

29
- 0035606199
- (2001) Theor. Chem. Acc. , vol.105 , pp. 252
- Faegri K., Jr.¹

30
- 4243472208
- (2000) Chem. Phys. Lett. , vol.329 , pp. 5111
- Nakajima, T.¹ Hirao, K.²

31
- 0001539635
- (2000) Chem. Phys. Lett. , vol.328 , pp. 473
- Koga, T.¹ Tatewaki, H.² Shimazaki, T.³

32
- 0038218089
- (1988) Chem. Rev. , vol.88 , pp. 563
- Pyykkö, P.¹

33
- 36749105581
- (1978) J. Chem. Phys. , vol.69 , pp. 984
- Hay, P.J.¹ Wadt, W.R.²

34
- 84987125992
- (1980) Chem. Phys. Lett. , vol.75 , pp. 1
- Ziegler, T.¹ Snijders, J.G.² Baerends, E.J.³

35
- 36749120374
- (1981) J. Chem. Phys. , vol.74 , pp. 1271
- Ziegler, T.¹ Snijders, J.G.² Baerends, E.J.³

36
- 36749106105
- (1982) J. Chem. Phys. , vol.76 , pp. 735
- Lee, Y.S.¹ McLean, A.D.²

37
- 0037988522
- (1985) J. Phys. Chem. , vol.89 , pp. 5202
- Ross, R.B.¹ Ermler, W.C.²

38
- 0003304509
- (1985) Mol. Phys. , vol.55 , pp. 1109
- Christiansen, P.A.¹ Ermler, W.C.²

39
- 0001264669
- (1989) J. Chem. Phys. , vol.91 , pp. 2412
- Bauschlicher C.W., Jr.¹ Langhoff, S.R.² Partridge, H.³

40
- 0039128076
- (1989) J. Chem. Phys. , vol.91 , pp. 1762
- Schwerdtfeger, P.¹ Dolg, M.² Schwarg, W.H.E.³ Bowmaker, G.A.⁴ Boyd, P.D.W.⁵

41
- 0344178884
- (1989) J. Phys. Chem. , vol.93 , pp. 3050
- Ziegler, T.¹ Tschinke, V.² Baerends, E.J.³ Snijder, J.-G.⁴ Ravenek, W.⁵

42
- 0003427043
- (1989) Z. Phys. D: At., Mol. Clusters , vol.13 , pp. 363
- Jansen, G.¹ Hess, B.A.²

43
- 0001282791
- (1990) Chem. Phys. Lett. , vol.175 , pp. 531
- Partridge, H.¹ Bauschlicher C.W., Jr.² Langhoff, S.R.³

44
- 0001694527
- (1990) Chem. Phys. Lett. , vol.169 , pp. 109
- Strömberg, D.¹ Wahlgren, U.²

45
- 0001253921
- (1990) J. Phys. Chem. , vol.94 , pp. 5536
- Kölmel, C.¹ Ahlrichs, R.²

46
- 0000928896
- (1991) Chem. Phys. Lett. , vol.183 , pp. 457
- Schwerdtfeger, P.¹

47
- 26544471095
- (1992) Chem. Phys. Lett. , vol.199 , pp. 491
- Häberlen, O.D.¹ Rösch, N.²

48
- 0000312901
- (1993) Chem. Phys. Lett. , vol.211 , pp. 119
- Bastug, T.¹ Heinemann, D.² Sepp, W.D.³ Kolb, D.⁴ Fricke, B.⁵

49
- 36449008972
- (1993) J. Chem. Phys. , vol.98 , pp. 3945
- Pizlo, A.¹ Jansen, G.² Heß, B.A.³ Von Niessen, W.⁴

50
- 0003300983
- Diploma thesis, University of Siegen
- (1994)
- Wang, S.G.¹

51
- 0000479761
- (1994) Chem. Phys. Lett. , vol.231 , pp. 269
- Park, C.¹ Almlöf, J.E.²

52
- 2942550208
- (1994) J. Chem. Phys. , vol.101 , pp. 9783
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

53
- 0003034924
- (1994) Chem. Phys. Lett. , vol.230 , pp. 1
- Kaldor, U.¹ Hess, B.A.²

54
- 19944397060
- (1995) J. Chem. Phys. , vol.102 , pp. 2024
- Collins, C.L.¹ Dyall, K.G.² Schaefer, H.F.³

55
- 36449002610
- (1995) J. Chem. Phys. , vol.103 , pp. 3589
- Van Wüllen, C.¹

56
- 0000770548
- (1996) Phys. Rev. A , vol.54 , pp. 4775
- Mayer, M.¹ Häberlen, O.D.² Rösch, N.³

57
- 0010163977
- (1996) J. Chem. Phys. , vol.105 , pp. 6505
- Van Lenthe, E.¹ Snijders, J.G.² Baerends, E.J.³

58
- 0030489377
- (1996) Chem. Phys. , vol.210 , pp. 413
- Nasluzov, V.A.¹ Rösch, N.²

59
- 0000874562
- (1996) J. Chem. Phys. , vol.105 , pp. 1995
- Kellö, V.¹ Sadlej, A.J.² Hess, B.A.³

60
- 17544372972
- (1996) Phys. Rev. A , vol.54 , pp. 2863
- Mohanty, A.K.¹ Parpia, F.-A.²

61
- 0000258831
- (1997) Phys. Rev. B , vol.55 , pp. 7454
- Patton, D.C.¹ Porezag, D.V.² Pederson, M.R.³

62
- 0003351491
- (1997) J. Mol. Struct. , vol.401 , pp. 93
- Mahé, L.¹ Barthelat, J.-C.²

63
- 0032495927
- (1998) Chem. Phys. Lett. , vol.287 , pp. 525
- Wahlgren, U.¹ Schimmelpfennig, B.² Jusuf, S.³ Strömsners, H.⁴ Gropen, O.⁵ Maron, L.⁶

64
- 0002611801
- (1998) Chem. Phys. Lett. , vol.293 , pp. 97
- Lee, H.-S.¹ Han, Y.-K.² Kim, M.C.³ Bae, C.⁴ Lee, Y.S.⁵

65
- 0038346162
- (1998) J. Chem. Phys. , vol.109 , pp. 392
- Van Wüllen, C.¹

66
- 0001636773
- (1999) Chem. Phys. Lett. , vol.304 , pp. 271
- Nakajima, T.¹ Suzumura, T.² Hirao, K.³

67
- 0033593691
- (1999) J. Chem. Phys. , vol.110 , pp. 3730
- Liu, W.¹ Van Wüllen, C.²

68
- 0001651060
- (1999) J. Chem. Phys. , vol.110 , pp. 9457
- Wesendrup, R.¹ Laerdahl, J.K.² Schwerdtfeger, P.³

69
- 0041434573
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 757
- Suzumura, T.¹ Nakajima, T.² Hirao, K.³

70
- 0001330186
- (2000) J. Chem. Phys. , vol.112 , pp. 1809
- Hess, B.A.¹ Kaldor, U.²

71
- 0000456987
- (2000) Chem. Phys. Lett. , vol.324 , pp. 453
- Han, Y.-K.¹ Hirao, K.²

72
- 0034319426
- (2000) J. Chem. Phys. , vol.113 , pp. 7110
- Schwerdtfeger, P.¹ Brown, J.R.² Laerdahl, J.K.³ Stoll, H.⁴

73
- 0034321296
- (2000) J. Chem. Phys. , vol.113 , pp. 8015
- Witek, H.A.¹ Nakajima, T.² Hirao, K.³

74
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

75
- 0002530349
- (1973) Theor. Chim. Acta , vol.29 , pp. 49
- Johnson, A.¹ Kollman, P.² Rothenberg, S.³

76
- 0003824417
- edited by P. Politzer (Plenum, New York)
- (1981) Chemical Applications of Atomic and Molecular Electronic Potentials
- Morokuma, K.¹ Kitaura, K.²

77
- 0003919078
- (Van Nostrand, New York)
- (1979) Molecular Structure IV, Constants of Diatomic Molecules
- Huber, K.P.¹ Herzberg, G.²

78
- 0001126555
- (1985) J. Mol. Spectrosc. , vol.113 , pp. 269
- Ram, R.S.¹ Bernath, P.F.² Brault, J.W.³

79
- 0001679386
- (1986) J. Chem. Phys. , vol.84 , pp. 6560
- Rohlfing, E.A.¹ Valentini, J.J.²

80
- 0001057540
- (1990) J. Mol. Spectrosc. , vol.412 , pp. 310
- Simard, B.¹ Hackett, P.A.²

81
- 0003301761
- note

82
- 0003426456
- MOLCAS Version 4.4, Department of Theoretical Chemistry, Chemistry Centre, Lund University, Sweden
- (1997)
- Andersson, K.¹ Blomberg, M.R.A.² Fülscher, M.P.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.