SCOPUS 정보 검색 플랫폼

Computer Physics Communications

Volumn 98, Issue 1-2, 1996, Pages 1-14

Mapping Coriolis-coupled quantum dynamics onto parallel computer architectures

(2) Goldfield, E M a Gray, S K b

a WAYNE STATE UNIVERSITY (United States)

b ARGONNE NATIONAL LABORATORY (United States)

Author keywords

Parallel computing; Quantum dynamics; Wavepackets

Indexed keywords

COMPUTER ARCHITECTURE; COMPUTER SIMULATION; MATHEMATICAL MODELS; NUMERICAL METHODS; PARALLEL PROCESSING SYSTEMS;

BODY FIXED AXIS; CORIOLIS COUPLED PARALLEL MODEL; CORIOLIS COUPLING; LOAD BALANCING ISSUES; NEAREST NEIGHBOR PROCESSORS; PROJECTION QUANTUM NUMBERS; QUANTUM DYNAMICS; TRIATOMIC UNIMOLECULAR FRAGMENTATION PROCESS; WALL CLOCK TIMES; WAVEPACKETS;

QUANTUM THEORY;

EID: 0030269837 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/0010-4655(96)00091-4 Document Type: Article

Times cited : (70)

References (46)

1
- 0000223954
- W.H. Miller, Annu. Rev. Phys. Chem. 41 (1991) 245; D.E. Manolopoulos and D.C. Clary, Annu. Rep. C 86 (1989) 95; D.G. Truhlar, D.W. Schwenke and D.W. Kouri, J. Phys. Chem. 94 (1990) 346, and references therein.
- (1991) Annu. Rev. Phys. Chem. , vol.41 , pp. 245
- Miller, W.H.¹

2
- 0011008159
- W.H. Miller, Annu. Rev. Phys. Chem. 41 (1991) 245; D.E. Manolopoulos and D.C. Clary, Annu. Rep. C 86 (1989) 95; D.G. Truhlar, D.W. Schwenke and D.W. Kouri, J. Phys. Chem. 94 (1990) 346, and references therein.
- (1989) Annu. Rep. C , vol.86 , pp. 95
- Manolopoulos, D.E.¹ Clary, D.C.²

3
- 85150403723
- and references therein
- W.H. Miller, Annu. Rev. Phys. Chem. 41 (1991) 245; D.E. Manolopoulos and D.C. Clary, Annu. Rep. C 86 (1989) 95; D.G. Truhlar, D.W. Schwenke and D.W. Kouri, J. Phys. Chem. 94 (1990) 346, and references therein.
- (1990) J. Phys. Chem. , vol.94 , pp. 346
- Truhlar, D.G.¹ Schwenke, D.W.² Kouri, D.W.³

4
- 0000230045
- B. Jackson, Annu. Rev. Phys. Chem. 46 (1995) 251; R. Kosloff, Annu. Rev. Phys. Chem. 45 (1994) 145; R. Kosloff, J. Phys. Chem. 92 (1988) 2087.
- (1995) Annu. Rev. Phys. Chem. , vol.46 , pp. 251
- Jackson, B.¹

5
- 0000018266
- B. Jackson, Annu. Rev. Phys. Chem. 46 (1995) 251; R. Kosloff, Annu. Rev. Phys. Chem. 45 (1994) 145; R. Kosloff, J. Phys. Chem. 92 (1988) 2087.
- (1994) Annu. Rev. Phys. Chem. , vol.45 , pp. 145
- Kosloff, R.¹

6
- 1142279256
- B. Jackson, Annu. Rev. Phys. Chem. 46 (1995) 251; R. Kosloff, Annu. Rev. Phys. Chem. 45 (1994) 145; R. Kosloff, J. Phys. Chem. 92 (1988) 2087.
- (1988) J. Phys. Chem. , vol.92 , pp. 2087
- Kosloff, R.¹

7
- 0011771941
- J.M. Bowman and G.C. Schatz, Annu. Rev. Phys. Chem. 46 (1995) 169.
- (1995) Annu. Rev. Phys. Chem. , vol.46 , pp. 169
- Bowman, J.M.¹ Schatz, G.C.²

8
- 0000182188
- G.C. Schatz and A. Kuppermann, J. Chem. Phys. 65 (1976) 4668; D. Neuhauser, R.S. Judson, D.J. Kouri, D.E. Adelman, N.E. Shafer, D.A. Kilner and R.N. Tare, Science 257 (1992) 519; J.M. Launay and M. Le Dourneuf, Chem. Phys. Lett. 169 (1990) 473; D. Neuhauser, R.S. Judson, R.L. Jaffe, M. Baer and D.J. Kouri, Chem. Phys. Lett. 176 (1991) 546.
- (1976) J. Chem. Phys. , vol.65 , pp. 4668
- Schatz, G.C.¹ Kuppermann, A.²

9
- 0001207731
- G.C. Schatz and A. Kuppermann, J. Chem. Phys. 65 (1976) 4668; D. Neuhauser, R.S. Judson, D.J. Kouri, D.E. Adelman, N.E. Shafer, D.A. Kilner and R.N. Tare, Science 257 (1992) 519; J.M. Launay and M. Le Dourneuf, Chem. Phys. Lett. 169 (1990) 473; D. Neuhauser, R.S. Judson, R.L. Jaffe, M. Baer and D.J. Kouri, Chem. Phys. Lett. 176 (1991) 546.
- (1992) Science , vol.257 , pp. 519
- Neuhauser, D.¹ Judson, R.S.² Kouri, D.J.³ Adelman, D.E.⁴ Shafer, N.E.⁵ Kilner, D.A.⁶ Tare, R.N.⁷

10
- 25044456509
- G.C. Schatz and A. Kuppermann, J. Chem. Phys. 65 (1976) 4668; D. Neuhauser, R.S. Judson, D.J. Kouri, D.E. Adelman, N.E. Shafer, D.A. Kilner and R.N. Tare, Science 257 (1992) 519; J.M. Launay and M. Le Dourneuf, Chem. Phys. Lett. 169 (1990) 473; D. Neuhauser, R.S. Judson, R.L. Jaffe, M. Baer and D.J. Kouri, Chem. Phys. Lett. 176 (1991) 546.
- (1990) Chem. Phys. Lett. , vol.169 , pp. 473
- Launay, J.M.¹ Le Dourneuf, M.²

11
- 0001100171
- G.C. Schatz and A. Kuppermann, J. Chem. Phys. 65 (1976) 4668; D. Neuhauser, R.S. Judson, D.J. Kouri, D.E. Adelman, N.E. Shafer, D.A. Kilner and R.N. Tare, Science 257 (1992) 519; J.M. Launay and M. Le Dourneuf, Chem. Phys. Lett. 169 (1990) 473; D. Neuhauser, R.S. Judson, R.L. Jaffe, M. Baer and D.J. Kouri, Chem. Phys. Lett. 176 (1991) 546.
- (1991) Chem. Phys. Lett. , vol.176 , pp. 546
- Neuhauser, D.¹ Judson, R.S.² Jaffe, R.L.³ Baer, M.⁴ Kouri, D.J.⁵

12
- 0040800609
- E.g., S. Green, B. Pan, J.M. Bowman, J. Chem. Phys. 102 (1995) 8800.
- (1995) J. Chem. Phys. , vol.102 , pp. 8800
- Green, S.¹ Pan, B.² Bowman, J.M.³

13
- 0028540106
- D.G. Truhlar, Comput. Phys. Commun. 84 (1994) 78.
- (1994) Comput. Phys. Commun. , vol.84 , pp. 78
- Truhlar, D.G.¹

14
- 30244444775
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1979) J. Chem. Phys. , vol.70 , pp. 2979
- Thomas, L.D.¹

15
- 0013489388
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1995) J. Chem. Phys. , vol.102 , pp. 7390
- Mandelshtam, V.A.¹ Taylor, H.S.²

16
- 30244444775
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1995) J. Chem. Phys. , vol.103 , pp. 2093

17
- 11744387273
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1992) Chem. Phys. Lett. , vol.303 , pp. 166
- Kouri, D.J.¹ Arnold, M.² Hoffman, D.K.³

18
- 0002574796
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1993) Chem. Phys. Lett. , vol.206 , pp. 96
- Huang, Y.¹ Zhu, W.² Kouri, D.J.³ Hoffman, D.K.⁴

19
- 30244444775
- L.D. Thomas, J. Chem. Phys. 70 (1979) 2979; V.A. Mandelshtam and H.S. Taylor, J. Chem. Phys. 102 (1995) 7390; 103 (1995) 2093; D.J. Kouri, M. Arnold and D.K. Hoffman, Chem. Phys. Lett. 303 (1992) 166; Y. Huang, W. Zhu, D.J. Kouri and D.K. Hoffman, Chem. Phys. Lett. 206 (1993) 96; H.W. Jang and J.C. Light, J. Chem. Phys. 102 (1995) 3252.
- (1995) J. Chem. Phys. , vol.102 , pp. 3252
- Jang, H.W.¹ Light, J.C.²

20
- 0001624711
- Y-S.M. Wu, S.A. Cuccaro, P.G. Hipes and A. Kuppermann, Theor. Chim. Acta 79 (1991) 225; Y-S.M. Wu, S.A. Cuccaro, P.G. Hipes and A. Kuppermann, Chem. Phys. Lett. 168 (1990) 429.
- (1991) Theor. Chim. Acta , vol.79 , pp. 225
- Wu, Y.-S.M.¹ Cuccaro, S.A.² Hipes, P.G.³ Kuppermann, A.⁴

21
- 0000704786
- Y-S.M. Wu, S.A. Cuccaro, P.G. Hipes and A. Kuppermann, Theor. Chim. Acta 79 (1991) 225; Y-S.M. Wu, S.A. Cuccaro, P.G. Hipes and A. Kuppermann, Chem. Phys. Lett. 168 (1990) 429.
- (1990) Chem. Phys. Lett. , vol.168 , pp. 429
- Wu, Y.-S.M.¹ Cuccaro, S.A.² Hipes, P.G.³ Kuppermann, A.⁴

22
- 84987057053
- A. Lagana, O. Gervasi, R. Baraglia and D. Laforenza, Int. J. Quant. Chem. S28 (1994) 85; A. Lagana, Comput. Phys. Commun. 70 (1992) 223; A. Aguilar, X. Gimenez, J.M. Lucas, O. Gervasi, Theoret. Chim. Acta 79 (1991) 191; A. Lagana, X. Gimenez, E. Garcia and O. Gervasi, Chem. Phys. Lett. 176 (1991) 280.
- (1994) Int. J. Quant. Chem. , vol.S28 , pp. 85
- Lagana, A.¹ Gervasi, O.² Baraglia, R.³ Laforenza, D.⁴

23
- 0042458437
- A. Lagana, O. Gervasi, R. Baraglia and D. Laforenza, Int. J. Quant. Chem. S28 (1994) 85; A. Lagana, Comput. Phys. Commun. 70 (1992) 223; A. Aguilar, X. Gimenez, J.M. Lucas, O. Gervasi, Theoret. Chim. Acta 79 (1991) 191; A. Lagana, X. Gimenez, E. Garcia and O. Gervasi, Chem. Phys. Lett. 176 (1991) 280.
- (1992) Comput. Phys. Commun. , vol.70 , pp. 223
- Lagana, A.¹

24
- 0040500266
- A. Lagana, O. Gervasi, R. Baraglia and D. Laforenza, Int. J. Quant. Chem. S28 (1994) 85; A. Lagana, Comput. Phys. Commun. 70 (1992) 223; A. Aguilar, X. Gimenez, J.M. Lucas, O. Gervasi, Theoret. Chim. Acta 79 (1991) 191; A. Lagana, X. Gimenez, E. Garcia and O. Gervasi, Chem. Phys. Lett. 176 (1991) 280.
- (1991) Theoret. Chim. Acta , vol.79 , pp. 191
- Aguilar, A.¹ Gimenez, X.² Lucas, J.M.³ Gervasi, O.⁴

25
- 0000369473
- A. Lagana, O. Gervasi, R. Baraglia and D. Laforenza, Int. J. Quant. Chem. S28 (1994) 85; A. Lagana, Comput. Phys. Commun. 70 (1992) 223; A. Aguilar, X. Gimenez, J.M. Lucas, O. Gervasi, Theoret. Chim. Acta 79 (1991) 191; A. Lagana, X. Gimenez, E. Garcia and O. Gervasi, Chem. Phys. Lett. 176 (1991) 280.
- (1991) Chem. Phys. Lett. , vol.176 , pp. 280
- Lagana, A.¹ Gimenez, X.² Garcia, E.³ Gervasi, O.⁴

26
- 0000281895
- P. Pendergast, Z. Darakjian, E.F. Hayes and D.C. Sorensen, J. Comput. Phys. 113 (1994) 201; D. Chasman, R.J. Silbey and M. Eisenberg, Theor. Chim. Acta 79 (1991) 175; D.K. Hoffman, O.A. Sharafeddin, D.J. Kouri, M. Carter, N. Nayar and J. Gustafson, Theor. Chim. Acta 79 (1991) 297; D.C. Burleigh and A.F. Wanger, Chem. Phys. Lett. 245 (1995) 679.
- (1994) J. Comput. Phys. , vol.113 , pp. 201
- Pendergast, P.¹ Darakjian, Z.² Hayes, E.F.³ Sorensen, D.C.⁴

27
- 0007090413
- P. Pendergast, Z. Darakjian, E.F. Hayes and D.C. Sorensen, J. Comput. Phys. 113 (1994) 201; D. Chasman, R.J. Silbey and M. Eisenberg, Theor. Chim. Acta 79 (1991) 175; D.K. Hoffman, O.A. Sharafeddin, D.J. Kouri, M. Carter, N. Nayar and J. Gustafson, Theor. Chim. Acta 79 (1991) 297; D.C. Burleigh and A.F. Wanger, Chem. Phys. Lett. 245 (1995) 679.
- (1991) Theor. Chim. Acta , vol.79 , pp. 175
- Chasman, D.¹ Silbey, R.J.² Eisenberg, M.³

28
- 0002673541
- P. Pendergast, Z. Darakjian, E.F. Hayes and D.C. Sorensen, J. Comput. Phys. 113 (1994) 201; D. Chasman, R.J. Silbey and M. Eisenberg, Theor. Chim. Acta 79 (1991) 175; D.K. Hoffman, O.A. Sharafeddin, D.J. Kouri, M. Carter, N. Nayar and J. Gustafson, Theor. Chim. Acta 79 (1991) 297; D.C. Burleigh and A.F. Wanger, Chem. Phys. Lett. 245 (1995) 679.
- (1991) Theor. Chim. Acta , vol.79 , pp. 297
- Hoffman, D.K.¹ Sharafeddin, O.A.² Kouri, D.J.³ Carter, M.⁴ Nayar, N.⁵ Gustafson, J.⁶

29
- 0007079379
- P. Pendergast, Z. Darakjian, E.F. Hayes and D.C. Sorensen, J. Comput. Phys. 113 (1994) 201; D. Chasman, R.J. Silbey and M. Eisenberg, Theor. Chim. Acta 79 (1991) 175; D.K. Hoffman, O.A. Sharafeddin, D.J. Kouri, M. Carter, N. Nayar and J. Gustafson, Theor. Chim. Acta 79 (1991) 297; D.C. Burleigh and A.F. Wanger, Chem. Phys. Lett. 245 (1995) 679.
- (1995) Chem. Phys. Lett. , vol.245 , pp. 679
- Burleigh, D.C.¹ Wanger, A.F.²

30
- 36749118438
- R.T. Pack, J. Chem. Phys. 60 (1974) 633; J. Tennyson and B.T. Sutcliffe, J. Chem. Phys. 77 (1982) 4061; G. Brocks, A. van der Avoird, B.T. Sutcliffe and J. Tennyson, Mol. Phys. 50 (1983) 1025.
- (1974) J. Chem. Phys. , vol.60 , pp. 633
- Pack, R.T.¹

31
- 36749104574
- R.T. Pack, J. Chem. Phys. 60 (1974) 633; J. Tennyson and B.T. Sutcliffe, J. Chem. Phys. 77 (1982) 4061; G. Brocks, A. van der Avoird, B.T. Sutcliffe and J. Tennyson, Mol. Phys. 50 (1983) 1025.
- (1982) J. Chem. Phys. , vol.77 , pp. 4061
- Tennyson, J.¹ Sutcliffe, B.T.²

32
- 0007041225
- R.T. Pack, J. Chem. Phys. 60 (1974) 633; J. Tennyson and B.T. Sutcliffe, J. Chem. Phys. 77 (1982) 4061; G. Brocks, A. van der Avoird, B.T. Sutcliffe and J. Tennyson, Mol. Phys. 50 (1983) 1025.
- (1983) Mol. Phys. , vol.50 , pp. 1025
- Brocks, G.¹ Van Der Avoird, A.² Sutcliffe, B.T.³ Tennyson, J.⁴

33
- 36549091739
- Y. Sun, R.S. Judson and D.J. Kouri, 90 (1989) 241
- Y. Sun, R.S. Judson and D.J. Kouri, 90 (1989) 241.

34
- 0003417929
- MIT Press, Cambridge, MA
- W. Gropp, E. Lusk and A. Skjellum, Using MPI: Portable Parallel Prgramming with the Message-Passing Interface (MIT Press, Cambridge, MA, 1994); M. Snir, S.W. Otto, S. Huss-Lederman, D.W. Walker and J. Dongarra, MPI: The Complete Reference (MIT Press, Cambridge, MA, 1994); Int. J. Supercomputer Applic. 8 (1994) no. 3/4; WWW, http://www.mcs.anl.gov/mpi/index.html.
- (1994) Using MPI: Portable Parallel Prgramming with the Message-Passing Interface
- Gropp, W.¹ Lusk, E.² Skjellum, A.³

35
- 0003710740
- MIT Press, Cambridge, MA
- W. Gropp, E. Lusk and A. Skjellum, Using MPI: Portable Parallel Prgramming with the Message-Passing Interface (MIT Press, Cambridge, MA, 1994); M. Snir, S.W. Otto, S. Huss-Lederman, D.W. Walker and J. Dongarra, MPI: The Complete Reference (MIT Press, Cambridge, MA, 1994); Int. J. Supercomputer Applic. 8 (1994) no. 3/4; WWW, http://www.mcs.anl.gov/mpi/index.html.
- (1994) MPI: The Complete Reference
- Snir, M.¹ Otto, S.W.² Huss-Lederman, S.³ Walker, D.W.⁴ Dongarra, J.⁵

36
- 30244503554
- W. Gropp, E. Lusk and A. Skjellum, Using MPI: Portable Parallel Prgramming with the Message-Passing Interface (MIT Press, Cambridge, MA, 1994); M. Snir, S.W. Otto, S. Huss-Lederman, D.W. Walker and J. Dongarra, MPI: The Complete Reference (MIT Press, Cambridge, MA, 1994); Int. J. Supercomputer Applic. 8 (1994) no. 3/4; WWW, http://www.mcs.anl.gov/mpi/index.html.
- (1994) Int. J. Supercomputer Applic. , vol.8 , Issue.3-4

37
- 0003742782
- Cambridge Univ. Press, Cambridge
- E.U. Condon and G.H. Shortley, The Theory of Atomic Spectra (Cambridge Univ. Press, Cambridge, 1935).
- (1935) The Theory of Atomic Spectra
- Condon, E.U.¹ Shortley, G.H.²

38
- 36549101210
- see especially Appendix C
- R.T. Pack and G.A. Parker, J. Chem. Phys. 87 (1987) 3888, see especially Appendix C.
- (1987) J. Chem. Phys. , vol.87 , pp. 3888
- Pack, R.T.¹ Parker, G.A.²

39
- 0342702498
- D. Kosloff and R. Kosloff, J. Comput. Phys. 52 (1983) 35; M.D. Feit, J.A. Fleck and A. Steiger, J. Comput. Phys. 47 (1982) 412.
- (1983) J. Comput. Phys. , vol.52 , pp. 35
- Kosloff, D.¹ Kosloff, R.²

40
- 0042973847
- D. Kosloff and R. Kosloff, J. Comput. Phys. 52 (1983) 35; M.D. Feit, J.A. Fleck and A. Steiger, J. Comput. Phys. 47 (1982) 412.
- (1982) J. Comput. Phys. , vol.47 , pp. 412
- Feit, M.D.¹ Fleck, J.A.² Steiger, A.³

41
- 0000074154
- S.K. Gray and D.E. Manolopoulos, J. Chem. Phys. 104 (1996) 7099.
- (1996) J. Chem. Phys. , vol.104 , pp. 7099
- Gray, S.K.¹ Manolopoulos, D.E.²

42
- 0002797142
- S.K. Gray, Chem. Phys. Lett. 197 (1992) 86.
- (1992) Chem. Phys. Lett. , vol.197 , pp. 86
- Gray, S.K.¹

43
- 0029632755
- S.K. Gray and O. Roncero, J. Phys. Chem. 99 (1995) 2512.
- (1995) J. Phys. Chem. , vol.99 , pp. 2512
- Gray, S.K.¹ Roncero, O.²

44
- 0000798499
- O. Roncero and S.K. Gray, J. Chem. Phys. 104 (1996) 4999.
- (1996) J. Chem. Phys. , vol.104 , pp. 4999
- Roncero, O.¹ Gray, S.K.²

45
- 84950764929
- P McGuire and D.J. Kouri, J, Phys. Chem. 60 (1974) 2488.
- (1974) J, Phys. Chem. , vol.60 , pp. 2488
- McGuire, P.¹ Kouri, D.J.²

46
- 0000325422
- J.M. Bowman, J. Phys. Chem. 95 (1991) 4960.
- (1991) J. Phys. Chem. , vol.95 , pp. 4960
- Bowman, J.M.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.