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Journal of Chemical Physics

Volumn 115, Issue 15, 2001, Pages 6853-6861

An efficient combination of computational techniques for investigating electronic resonance states in molecules

(2) Santra, R a Cederbaum, L S a

a UNIVERSITY OF HEIDELBERG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRON SCATTERING; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; GROUND STATE; IONIZATION; MOLECULES; NEON; OPTIMIZATION; QUANTUM THEORY;

CONFIGURATION INTERACTION; ELECTRONIC DECAY; GAUSSIAN BASIS; INNER VALENCE EXCITED STATE; MOLECULAR SCATTERING; QUANTUM EFFECTS;

ELECTRON RESONANCE;

EID: 0035886488 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1405117 Document Type: Article

Times cited : (80)

References (75)

1
- 0346246647
- (1999) Philos. Trans. R. Soc. London, Ser. A , vol.357 , pp. 1175
- Mason, N.J.¹ Gingell, J.M.² Jones, N.C.³ Kaminski, L.⁴

2
- 0004101722
- (Springer, Berlin)
- (1996) Photoelectron Spectroscopy
- Hüfner, S.¹

3
- 0003420791
- (Wiley, New York)
- (1985) Auger Electron Spectroscopy
- Thompson, M.¹ Baker, M.D.² Christie, A.³ Tyson, J.F.⁴

4
- 0004032054
- (Kluwer Academic, Dordrecht)
- (1989) Theory of Resonances
- Kukulin, V.I.¹ Krasnopol'sky, V.M.² Horáček, J.³

5
- 4243876358
- (1939) Phys. Rev. , vol.56 , pp. 750
- Siegert, A.F.J.¹

6
- 0003418036
- edited by D. R. Yarkony (World Scientific, Singapore)
- (1995) Modern Electronic Structure Theory Part II
- Helgaker, T.¹ Taylor, P.R.²

7
- 0003396304
- edited by P. v. R. Schleyer, P. R. Schreiner, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, and H. F. Schaefer III (Wiley, New York)
- (1998) Encyclopedia of Computational Chemistry
- Cederbaum, L.S.¹

8
- 0004204994
- edited by R. J. Bartlett (World Scientific, Singapore)
- (1997) Recent Advances in Coupled-Cluster Methods

9
- 0003418036
- edited by D. R. Yarkony (World Scientific, Singapore)
- (1995) Modern Electronic Structure Theory Part I
- Andersson, K.¹ Roos, B.O.²

10
- 0346246652
- (1999) Philos. Trans. R. Soc. London, Ser. A , vol.357 , pp. 1161
- Tennyson, J.¹ Morgan, L.A.²

11
- 5344233802
- (1958) Ann. Phys. (N.Y.) , vol.5 , pp. 357
- Feshbach, H.¹

12
- 33747835834
- (1962) Ann. Phys. (N.Y.) , vol.19 , pp. 287
- Feshbach, H.¹

13
- 0003914786
- edited by T. Rescigno, V. McKoy, and B. Schneider (Plenum, New York)
- (1979) Electron-Molecule and Photon-Molecule Collisions
- Langhoff, P.W.¹

14
- 0003914786
- edited by T. Rescigno, V. McKoy, and B. Schneider (Plenum, New York)
- (1979) Electron-Molecule and Photon-Molecule Collisions
- Hazi, A.U.¹

15
- 0001563377
- (1982) Annu. Rev. Phys. Chem. , vol.33 , pp. 223
- Reinhardt, W.P.¹

16
- 85058198366
- (1998) Phys. Rep. , vol.302 , pp. 211
- Moiseyev, N.¹

17
- 0003282497
- (1971) Commun. Math. Phys. , vol.22 , pp. 269
- Aguilar, J.¹ Combes, J.M.²

18
- 0000027846
- (1971) Commun. Math. Phys. , vol.22 , pp. 280
- Balslev, E.¹ Combes, J.M.²

19
- 0027719622
- (1993) J. Phys. B , vol.26 , pp. 4503
- Riss, U.V.¹ Meyer, H.-D.²

20
- 0004583681
- (1998) J. Phys. B , vol.31 , pp. 1431
- Moiseyev, N.¹

21
- 0032074417
- (1998) J. Phys. B , vol.31 , pp. 2279
- Riss, U.V.¹ Meyer, H.-D.²

22
- 0000111968
- (1985) Chem. Phys. Lett. , vol.121 , pp. 106
- Jolicard, G.¹ Austin, E.J.²

23
- 33748622447
- (1986) Chem. Phys. , vol.103 , pp. 295
- Jolicard, G.¹ Austin, E.J.²

24
- 0000183816
- (1978) Mol. Phys. , vol.36 , pp. 1613
- Moiseyev, N.¹ Certain, P.R.² Weinhold, F.³

25
- 0001117394
- (1998) J. Phys. B , vol.31 , pp. 4107
- Sommerfeld, T.¹ Riss, U.V.² Meyer, H.-D.³ Cederbaum, L.S.⁴ Engels, B.⁵ Suter, H.U.⁶

26
- 0001032722
- (1999) Chem. Phys. Lett. , vol.303 , pp. 413
- Santra, R.¹ Cederbaum, L.S.² Meyer, H.-D.³

27
- 0035917483
- (2001) Int. J. Quantum Chem. , vol.82 , pp. 218
- Sommerfeld, T.¹ Santra, R.²

28
- 0033704064
- (2000) J. Chem. Phys. , vol.112 , pp. 9243
- Santra, R.¹ Breidbach, J.² Zobeley, J.³ Cederbaum, L.S.⁴

29
- 0034319757
- (2000) Phys. Rev. Lett. , vol.85 , pp. 4490
- Santra, R.¹ Zobeley, J.² Cederbaum, L.S.³ Moiseyev, N.⁴

30
- 0035333764
- (2001) J. Chem. Phys. , vol.114 , pp. 7351
- Moiseyev, N.¹ Santra, R.² Zobeley, J.³ Cederbaum, L.S.⁴

31
- 0003468774
- (Dover, Mineola, NY)
- (1996) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

32
- 0004245694
- edited by M. Abramowitz and I. A. Stegun (Dover, New York)
- (1970) Handbook of Mathematical Functions

33
- 0004161838
- (Cambridge University Press, Cambridge)
- (1992) Numerical Recipes in Fortran: The Art of Scientific Computing
- Press, W.H.¹ Teukolsky, S.A.² Vetterling, W.T.³ Flannery, B.P.⁴

34
- 0003569570
- (Oxford University Press, New York)
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

35
- 0004236492
- (Johns Hopkins University Press, Baltimore)
- (1996) Matrix Computations
- Golub, G.H.¹ Van Loan, C.F.²

36
- 0003462314
- (Birkhäuser, Boston)
- (1985) Lanczos Algorithms for Large Symmetric Eigenvalue Computations
- Cullum, J.K.¹ Willoughby, R.A.²

37
- 0000094594
- (1950) J. Res. Natl. Bur. Stand. , vol.45 , pp. 255
- Lanczos, C.¹

38
- 72449139170
- (1972) J. Inst. Math. Appl. , vol.10 , pp. 373
- Paige, C.C.¹

39
- 0000384253
- (2000) J. Chem. Phys. , vol.112 , pp. 2106
- Sommerfeld, T.¹ Tarantelli, F.²

40
- 5344230920
- (1975) J. Comput. Phys. , vol.17 , pp. 87
- Davidson, E.R.¹

41
- 0000767453
- (1980) SIAM (Soc. Ind. Appl. Math.) J. Numer. Anal. , vol.17 , pp. 687
- Saad, Y.¹

42
- 36549099930
- (1989) J. Chem. Phys. , vol.91 , pp. 6195
- Meyer, H.-D.¹ Pal, S.²

43
- 84983481443
- (1996) J. Chem. Phys. , vol.104 , pp. 7122
- Weikert, H.-G.¹ Meyer, H.-D.² Cederbaum, L.S.³ Tarantelli, F.⁴

44
- 0003706460
- (Society for Industrial and Applied Mathematics, Philadelphia)
- (1994) LAPACK Users' Guide-Release 2.0
- Anderson, E.¹ Bai, Z.² Bischof, C.³

45
- 0031215986
- (1997) SIAM J. Sci. Comp. (USA) , vol.18 , pp. 1412
- Bar-On, I.¹ Ryaboy, V.²

46
- 0000031087
- (1990) J. Chem. Phys. , vol.93 , pp. 2611
- Neuhauser, D.¹

47
- 36449006911
- (1995) J. Chem. Phys. , vol.102 , pp. 8011
- Wall, M.R.¹ Neuhauser, D.²

48
- 0000222942
- (1995) J. Chem. Phys. , vol.103 , pp. 7990
- Grozdanov, T.P.¹ Mandelshtam, V.A.² Taylor, H.S.³

49
- 36449009501
- (1995) J. Chem. Phys. , vol.103 , pp. 10074
- Mandelshtam, V.A.¹ Grozdanov, T.P.² Taylor, H.S.³

50
- 0000472233
- (1996) J. Chem. Phys. , vol.105 , pp. 1311
- Chen, R.¹ Guo, H.²

51
- 0031578416
- (1997) Chem. Phys. Lett. , vol.276 , pp. 250
- Narevicius, E.¹ Neuhauser, D.² Korsch, H.J.³ Moiseyev, N.⁴

52
- 0004165067
- (Gordon and Breach, New York)
- (1978) An Introduction to Orthogonal Polynomials
- Chihara, T.S.¹

53
- 0242510121
- (1984) J. Chem. Phys. , vol.81 , pp. 3967
- Tal-Ezer, H.¹ Kosloff, R.²

54
- 0002574796
- (1993) Chem. Phys. Lett. , vol.206 , pp. 96
- Huang, Y.¹ Zhu, W.² Kouri, D.J.³ Hoffman, D.K.⁴

55
- 43949147606
- (1994) Chem. Phys. Lett. , vol.217 , pp. 73
- Zhu, W.¹ Huang, Y.² Kouri, D.J.³ Chandler, C.⁴ Hoffman, D.K.⁵

56
- 0001180732
- (1995) Chem. Phys. Lett. , vol.238 , pp. 395
- Kouri, D.J.¹ Zhu, W.² Parker, G.A.³ Hoffman, D.K.⁴

57
- 0013489388
- (1995) J. Chem. Phys. , vol.102 , pp. 7390
- Mandelshtam, V.A.¹ Taylor, H.S.²

58
- 0003882610
- (Springer, Berlin)
- (1993) Introduction to Numerical Analysis
- Stoer, J.¹ Bulirsch, R.²

59
- 0001496095
- (1972) Chem. Phys. Lett. , vol.15 , pp. 153
- Roos, B.O.¹

60
- 0001538474
- (1998) Phys. Rev. Lett. , vol.80 , pp. 3723
- Sommerfeld, T.¹ Cederbaum, L.S.²

61
- 4243859733
- (1997) Phys. Rev. Lett. , vol.79 , pp. 1237
- Sommerfeld, T.¹ Riss, U.V.² Meyer, H.-D.³ Cederbaum, L.S.⁴

62
- 0001037312
- (2000) J. Chem. Phys. , vol.112 , pp. 6635
- Sommerfeld, T.¹ Tarantelli, F.² Meyer, H.-D.³ Cederbaum, L.S.⁴

63
- 0342733640
- (1999) J. Phys. B , vol.32
- Ingr, M.¹ Meyer, H.-D.² Cederbaum, L.S.³

64
- 0035277882
- (2001) J. Electron Spectrosc. Relat. Phenom. , vol.114-116 , pp. 41
- Santra, R.¹ Zobeley, J.² Cederbaum, L.S.³ Tarantelli, F.⁴

65
- 0000563592
- (2000) Phys. Rev. Lett. , vol.84 , pp. 431
- Lablanquie, P.¹ Penent, F.² Hall, R.I.³

66
- 4243417448
- (submitted)
- Phys. Rev. B
- Santra, R.¹ Zobeley, J.² Cederbaum, L.S.³

67
- 4243417667
- (1997) Phys. Rev. Lett. , vol.79 , pp. 4778
- Cederbaum, L.S.¹ Zobeley, J.² Tarantelli, F.³

68
- 0000805507
- (1998) J. Chem. Phys. , vol.108 , pp. 9737
- Zobeley, J.¹ Cederbaum, L.S.² Tarantelli, F.³

69
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

70
- 4143095330
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

71
- 26444474547
- (1994) J. Chem. Phys. , vol.100 , pp. 2975
- Woon, D.E.¹ Dunning T.H., Jr.²

72
- 0002830984
- note

73
- 0000916823
- (1999) Mol. Phys. , vol.96 , pp. 529
- Van Mourik, T.¹ Wilson, A.K.² Dunning T.H., Jr.³

74
- 0003392598
- University of Lund, Sweden
- (1998) MOLCAS Version 4
- Andersson, K.¹ Blomberg, M.R.A.² Fülscher, M.P.³

75
- 0001037589
- (1997) Chem. Phys. , vol.255 , pp. 192
- Hanrath, M.¹ Engels, B.²

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