SCOPUS 정보 검색 플랫폼

Volumn 115, Issue 10, 2001, Pages 4411-4423

A two-component variant of the Douglas-Kroll relativistic linear combination of Gaussian-type orbitals density-functional method: Spin-orbit effects in atoms and diatomics

(3) Mayer, M a Kruger S a Rosch N a

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHEMICAL BONDS; ELECTRONIC DENSITY OF STATES; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; RELATIVITY;

DOUGLAS-KROLL RELATIVISTIC LINEAR COMBINATION; ELECTRON ELECTRON INTERACTION; GRADIENT CORRECTED APPROXIMATION; INTERMEDIATE COUPLING APPROXIMATION; LOCAL DENSITY APPROXIMATION; SPIN ORBIT EFFECTS;

ATOMIC PHYSICS;

EID: 0035828358 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1390509 Document Type: Article

Times cited : (78)

References (78)

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

2
- 77956656833
- edited by J. M. Seminario (Elsevier Science, Amsterdam)
- (1996) Recent Developments and Applications of Modern Density Functional Theory , pp. 497
- Rösch, N.¹ Krüger, S.² Mayer, M.³ Nasluzov, V.⁴

3
- 0003675975
- (Wiley, New York)
- (1997) Relativistic Effects in Chemistry
- Balasubramanian, K.¹

4
- 0000105044
- (1991) J. Chem. Phys. , vol.95 , pp. 3064
- Balasubramanian, K.¹ Liao, D.W.²

5
- 36749106762
- (1983) J. Chem. Phys. , vol.78 , pp. 321
- Balasubramanian, K.¹ Pitzer, K.S.²

6
- 0000797475
- (1993) J. Chem. Phys. , vol.99 , pp. 6704
- Visscher, L.¹ Saue, T.² Nieuwpoort, W.C.³ Faegri, K.⁴ Gropen, O.⁵

7
- 0010163977
- (1996) J. Chem. Phys. , vol.105 , pp. 6505
- Van Lenthe, E.¹ Snijders, J.G.² Baerends, E.J.³

8
- 0002161667
- edited by E. K. U. Gross and R. M. Dreizler; of NATO ASI Series B (Plenum, New York)
- (1995) Density Functional Theory , vol.337 , pp. 65
- Engel, E.¹ Müller, H.² Speicher, C.³ Dreizler, R.M.⁴

9
- 0002549168
- (1989) Z. Phys. D: At., Mol. Clusters , vol.15 , pp. 27
- Kutzelnigg, W.¹

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

11
- 0022810794
- (1986) Phys. Scr. , vol.34 , pp. 394
- Chang, C.¹ Pelissier, M.² Durand, P.³

12
- 0037880444
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

13
- 2942550208
- (1994) J. Chem. Phys. , vol.101 , pp. 9783
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

14
- 0000680733
- (1982) Mol. Phys. , vol.46 , pp. 1045
- Schwarz, W.H.E.¹ Wallmeier, H.²

15
- 0003363249
- (1984) J. Phys. Chem. , vol.81 , pp. 1910
- Stanton, R.E.¹ Havriliak, S.²

16
- 36749110159
- (1975) J. Chem. Phys. , vol.62 , pp. 3039
- Rosen, A.¹ Ellis, D.E.²

17
- 36749106722
- (1976) J. Chem. Phys. , vol.65 , pp. 3629
- Rosen, A.¹ Ellis, D.E.² Adachi, H.³ Averill, F.W.⁴

18
- 84990631940
- (1984) Int. J. Quantum Chem. , vol.25 , pp. 107
- Kutzelnigg, W.¹

19
- 0001750924
- (1999) Phys. Rev. A , vol.59 , pp. 4288
- Varga, S.¹ Engel, E.² Sepp, W.D.³ Fricke, B.⁴

20
- 0001719398
- (2000) J. Chem. Phys. , vol.112 , pp. 3499
- Varga, S.¹ Fricke, B.² Nakamatsu, H.³ Mukoyama, T.⁴ Anton, J.⁵ Geschke, D.⁶ Heitmann, A.⁷ Engel, E.⁸ Bastuǧ, T.⁹

21
- 0003742782
- (Cambridge University Press, Cambridge)
- (1935) The Theory of Atomic Spectra
- Condon, E.U.¹ Shortley, G.H.²

22
- 84990727709
- (1984) Int. J. Quantum Chem. , vol.25 , pp. 185
- Ellis, D.E.¹ Goodman, G.L.²

23
- 36149032801
- (1988) J. Phys. F: Met. Phys. , vol.18 , pp. 469
- Kübler, J.¹ Höck, K.H.² Sticht, J.³ Williams, A.R.⁴

24
- 4243758332
- (1995) Phys. Rev. Lett. , vol.75 , pp. 946
- Sandratskii, L.M.¹ Kübler, J.²

25
- 36149037371
- (1989) J. Phys.: Condens. Matter , vol.1 , pp. 8155
- Sticht, J.¹ Höck, K.H.² Kübler, J.³

26
- 0002255222
- (1999) J. Comput. Chem. , vol.20 , pp. 23
- Eschrig, H.¹ Servedio, V.D.P.²

27
- 0001478091
- (1973) Phys. Rev. B , vol.7 , pp. 1912
- Rajagopal, A.K.¹ Callaway, J.²

28
- 0000769645
- (1983) Adv. Chem. Phys. , vol.54 , pp. 231
- Ramana, M.V.¹ Rajagopal, A.K.²

29
- 5444237332
- (1972) J. Phys. C , vol.5 , pp. 1629
- Von Barth, U.¹ Hedin, L.²

30
- 0001351665
- (1979) J. Phys. Chem , vol.12 , pp. 2977
- MacDonald, A.H.¹ Vosko, S.H.²

31
- 36149017177
- (1950) Phys. Rev. , vol.78 , pp. 29
- Foldy, L.L.¹ Wouthuysen, S.A.²

32
- 0001246904
- (1985) Phys. Rev. A , vol.32 , pp. 756
- Hess, B.A.¹

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

34
- 26544471095
- (1992) Chem. Phys. Lett. , vol.199 , pp. 491
- Häberlen, O.D.¹ Rösch, N.²

35
- 0003470047
- (in preparation)
- Matveev, A.¹ Lauterbach, C.² Mayer, M.³ Krüger, S.⁴ Rösch, N.⁵

36
- 0002596373
- (1984) Chem. Phys. , vol.84 , pp. 1
- Buenker, R.J.¹ Chandra, P.² Hess, B.A.³

37
- 0000064563
- (1997) J. Chem. Phys. , vol.106 , pp. 5189
- Häberlen, O.D.¹ Chung, S.-C.² Stener, M.³ Rösch, N.⁴

38
- 0033549078
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 4522
- Hu, A.¹ Neyman, K.M.² Staufer, M.³ Belling, T.⁴ Gates, B.C.⁵ Rösch, N.⁶

39
- 0035932185
- (2001) J. Chem. Phys. , vol.114 , pp. 5207
- Krüger, S.¹ Stener, M.² Rösch, N.³

40
- 0003536417
- (Clarendon, Oxford)
- (1986) Rotations, Quaternions and Double Groups
- Altmann, S.L.¹

41
- 0003304139
- (Clarendon, Oxford)
- (1994) Group Theory and Its Application to Physical Problems
- Altmann, S.L.¹ Herzig, P.²

42
- 0003973719
- Technische Universität München
- (1998) PARAGAUSS, Version 1.9
- Belling, T.¹ Grauschopf, T.² Krüger, S.³ Nörtemann, F.⁴ Staufer, M.⁵ Mayer, M.⁶ Nasluzov, V.A.⁷ Birkenheuer, U.⁸ Rösch, N.⁹

43
- 0000974619
- edited by H.-J. Bungartz, F. Durst, and C. Zenger; Lecture Notes in Computational Science and Engineering (Springer, Berlin)
- (1999) High Performance Scientific and Engineering Computing , vol.8 , pp. 439
- Belling, T.¹ Grauschopf, T.² Krüger, S.³ Mayer, M.⁴ Nörtemann, F.⁵ Staufer, M.⁶ Zenger, C.⁷ Rösch, N.⁸

44
- 0003887879
- (World Scientific, Singapore)
- (1989) Group Representation Theory for Physicists
- Chen, J.Q.¹

45
- 0003569570
- (Oxford University Press, Oxford)
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

46
- 16444375810
- (1993) J. Chem. Phys. , vol.98 , pp. 5612
- Johnson, B.G.¹ Gill, P.M.W.² Pople, J.A.³

47
- 4244034574
- (1996) Phys. Rev. Lett. , vol.76 , pp. 4420
- Nordström, L.¹ Singh, D.L.²

48
- 0002318805
- (1980) Adv. Chem. Phys. , vol.41 , pp. 59
- Rajagopal, A.K.¹

49
- 0001612153
- (1990) J. Chem. Phys. , vol.103 , pp. 3589
- Van Wüllen, C.¹

50
- 0001718771
- (1999) Phys. Rev. B , vol.59 , pp. 3314
- Kleinman, L.¹

51
- 0002140346
- (1983) Chem. Phys. , vol.80 , pp. 1
- Rösch, N.¹

52
- 0004248840
- (McGraw-Hill, New York)
- (1964) Relativistic Quantum Mechanics
- Bjorken, J.D.¹ Drell, S.D.²

53
- 0000974024
- (1990) Adv. Quantum Chem. , vol.21 , pp. 317
- Dunlap, B.I.¹ Rösch, N.²

54
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

55
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

56
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

57
- 5544227874
- (1991) J. Chem. Phys. , vol.94 , pp. 6057
- Fan, L.¹ Ziegler, T.²

58
- 0003302941
- (1985) Chem. Phys. Lett. , vol.114 , pp. 529
- Jörg, H.¹ Rösch, N.² Sabin, J.R.³ Dunlap, B.I.⁴

59
- 84987141312
- (1994) J. Quantum Chem., Quantum Chem. Symp. , vol.28 , pp. 595
- Häberlen, O.D.¹ Chung, S.-C.² Rösch, N.³

60
- 0346563319
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 8241
- Häberlen, O.D.¹ Schmidbaur, H.² Rösch, N.³

61
- 84988072823
- (1987) J. Comput. Chem. , vol.8 , pp. 982
- Gropen, O.¹

62
- 0000077811
- (1996) Phys. Rev. A , vol.53 , pp. 1367
- Engel, E.¹ Keller, S.² Dreizler, R.M.³

63
- 0003946567
- (Oxford University Press, New York)
- (1981) Spin-Orbit Coupling in Molecules
- Richards, W.G.¹ Trivedi, H.P.² Cooper, D.L.³

64
- 0003365045
- (1998) Int. J. Quantum Chem. , vol.68 , pp. 53
- Sjovoll, M.¹ Fagerli, H.² Gropen, O.³ Almlöf, J.⁴ Olsen, J.⁵ Helgaker, T.U.⁶

65
- 0003838469
- (Wiley-VCH, Weinheim)
- (2000) A Chemist's Guide to Density Functional Theory
- Koch, W.¹ Holthusen, M.C.²

66
- 0010297377
- (1977) Theor. Chim. Acta , vol.43 , pp. 261
- Ziegler, T.¹ Rauk, A.² Baerends, E.J.³

67
- 4244120608
- (Verlag Chemie, Weinheim)
- (1975) Einführung in die Theoretische Chemie, Band 1: Quantenmechanische Grundlagen
- Kutzelnigg, W.¹

68
- 0003364631
- Dissertation, Technische Universität München
- (1999)
- Mayer, M.¹

69
- 0003130223
- edited by P. Jensen and P.R. Bunker (Wiley, New York)
- (2000) Computational Molecular Spectroscopy , pp. 169
- Hess, B.A.¹ Marian, C.M.²

70
- 0000612986
- (1995) Phys. Rev. A , vol.52 , pp. 2750
- Engel, E.¹ Keller, S.² Dreizler, R.M.³

71
- 0000010789
- (2000) J. Chem. Phys. , vol.113 , pp. 2506
- Liu, W.¹ Van Wüllen, C.²

72
- 0001678525
- (2000) J. Chem. Phys. , vol.113 , pp. 2508
- Varga, S.¹ Fricke, B.² Nakamatsu, H.³ Mukoyama, T.⁴ Anton, J.⁵ Geschke, D.⁶ Heitmann, A.⁷ Engel, E.⁸ Bastuǧ, T.⁹

73
- 0002611801
- (1998) Chem. Phys. Lett. , vol.293 , pp. 97
- Lee, H.¹ Han, Y.² Kim, M.C.³ Bae, C.⁴ Lee, Y.S.⁵

74
- 0344791553
- (1991) Chem. Rev. , vol.91 , pp. 651
- Ziegler, T.¹

75
- 0000350378
- (1999) Organometallics , vol.18 , pp. 5044
- Gisdakis, P.¹ Antonczak, S.² Rösch, N.³

76
- 0003919078
- (Van Nostrand, New York)
- (1979) Molecular Spectra and Molecular Structure , vol.4
- Huber, K.P.¹ Herzberg, G.²

77
- 0003392735
- (Natl. Bur. Stand. U.S., Washington, DC)
- (1952) Atomic Energy Levels , vol.467
- Moore, C.E.¹

78
- 0003003376
- (1983) J. Mol. Spectrosc. , vol.100 , pp. 75
- Sonntag, H.¹ Weber, R.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.