SCOPUS 정보 검색 플랫폼

The Journal of Chemical Physics

Volumn 102, Issue 24, 1995, Pages 9582-9589

Orbital-invariant second-order many-body perturbation theory on parallel computers: An approach for large molecules

(2) Bernholdt, David E a Harrison, Robert J a

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 11744267002 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.468774 Document Type: Article

Times cited : (29)

References (60)

1
- 20344381993
- (1993) Chem. Phys. Lett. , vol.208 , pp. 359
- Feyereisen, M.¹ Fitzgerald, G.² Komornicki, A.³

2
- 20344365516
- (1993) Chem. Phys. Lett. , vol.213 , pp. 514
- Vahtras, O.¹ Almlöf, J.² Feyereisen, M.W.³

3
- 0001188539
- (1994) J. Chem. Phys. , vol.101 , pp. 400
- Rendell, A.P.¹ Lee, T.J.²

4
- 0001278892
- (1990) J. Chem. Phys. , vol.93 , pp. 3397
- Ringnalda, M.N.¹ Belhadj, M.² Friesner, R.A.³

5
- 0000487174
- (1990) J. Chem. Phys. , vol.92 , pp. 7488
- Langlois, J.-M.¹ Muller, R.P.² Coley, T.R.³ Goddard, W.A.⁴ Ringnalda, M.N.⁵ Won, Y.⁶ Friesner, R.A.⁷

6
- 0000937971
- (1992) J. Chem. Phys. , vol.97 , pp. 1876
- Martinez, T.J.¹ Mehta, A.² Carter, E.A.³

7
- 0001417717
- (1994) J. Chem. Phys. , vol.100 , pp. 3631
- Martinez, T.J.¹ Carter, E.A.²

8
- 0003573036
- The Rapid Evaluation of Potential Fields in Particle Systems
- (MIT, Cambridge, MA)
- (1988) ACM Distinguished Dissertations
- Greengard, L.F.¹

9
- 0000203611
- (1992) Mol. Phys. , vol.77 , pp. 629
- Saunders, V.R.¹ Freyria-Fava, C.² Dovesi, R.³ Salasco, L.⁴ Roetti, C.⁵

10
- 84990713815
- (1992) Int. J. Quantum Chem. , vol.42 , pp. 1073
- Panas, I.¹ Almlöf, J.²

11
- 84950519473
- Sandia National Laboratory, Liver-more, California
- (1994) The continuous fast multipole method, Contributed Talk, 15th West Coast Theoretical Chemistry Conference
- White, C.A.¹ Head-Gordon, M.² Johnson, B.G.³ Gill, P.M.W.⁴

12
- 0041287950
- edited by E. Clementi (ESCOM Science, Leiden, Chap. 7,
- (1990) Modern Techniques in Computational Chemistry: MOTECC-90 , pp. 343-434
- Clementi, E.¹ Corngiu, G.² Chakravorty, S.³

13
- 85034925344
- (private communication)
- Almlöf, J.¹

14
- 0000443330
- (1973) Theor. Chim. Acta , vol.28 , pp. 307
- Dyczmons, V.¹

15
- 7544236830
- (1963) Rev. Mod. Phys. , vol.35 , pp. 457
- Edmiston, C.¹ Ruedenberg, K.²

16
- 0002999684
- edited by P.-O. Löwdin (Academic, New York
- (1966) Quantum Theory of Atoms, Molecules, and the Solid State , pp. 253-262
- Boys, S.F.¹

17
- 3142753249
- (1989) J. Chem. Phys. , vol.90 , pp. 4916
- Pipek, J.¹ Mezey, P.G.²

18
- 0001277795
- (1991) Chem. Phys. Lett. , vol.181 , pp. 319
- Almlöf, J.¹

19
- 36449001643
- (1992) J. Chem. Phys. , vol.96 , pp. 489
- Häser, M.¹ Almlöf, J.²

20
- 0002747967
- (1993) Theor. Chim. Acta , vol.87 , pp. 147
- Häser, M.¹

21
- 34250126673
- (1986) Theor. Chim. Acta , vol.69 , pp. 357
- Pulay, P.¹ Saebo, S.²

22
- 36749115706
- (1976) J. Chem. Phys. , vol.64 , pp. 2901
- Meyer, W.¹

23
- 0001504604
- (1984) J. Chem. Phys. , vol.81 , pp. 1901
- Pulay, P.¹ Saebo, S.² Meyer, W.³

24
- 0001701339
- (1983) Chem. Phys. Lett. , vol.100 , pp. 151
- Pulay, P.¹

25
- 0002342415
- (1985) Chem. Phys. Lett. , vol.113 , pp. 13
- Saebo, S.¹ Pulay, P.²

26
- 0343698315
- (1993) Annu. Rev. Phys. Chem. , vol.44 , pp. 213
- Saebo, S.¹ Pulay, P.²

27
- 12044258922
- (1994) Annu. Rev. Phys. Chem. , vol.45 , pp. 623
- Harrison, R.J.¹ Shepard, R.²

28
- 0011698054
- (1986) Lecture Notes in Chemistry , vol.44 , pp. 130
- Clementi, E.¹ Chin, S.² Logan, D.³

29
- 36549101305
- (1987) J. Chem. Phys. , vol.86 , pp. 2185
- Whiteside, R.A.¹ Binkley, J.S.² Colvin, M.E.³ Schaefer, H.F.⁴

30
- 0024065477
- (1988) J. Phys. Chem. , vol.92 , pp. 4880
- Hurley, J.N.¹ Huestis, D.L.² Goddard, W.A.³

31
- 0011639477
- (1989) Theor. Chim. Acta , vol.76 , pp. 187
- Bauschlicher, C.W.¹

32
- 0011626515
- Vector and parallel implementations of a fourth-order Moller–Plesset perturbation theory (MP4) program
- IBM Corporation, Data Systems Division, Kingston, NY 12401
- (1989) Technical Report No. KGN-197
- Watts, J.D.¹ Dupuis, M.²

33
- 84986500859
- (1990) J. Comput. Chem. , vol.11 , pp. 1151
- Covick, L.A.¹ Sando, K.M.²

34
- 0025751904
- (1991) Comput. Phys. Commun. , vol.62 , pp. 107
- Wiest, R.¹ Demuynck, J.² Bénard, M.³ Rohmer, M.⁴ Ernenwein, R.⁵

35
- 84950522628
- Caltech Concurrent Supercomputing Facility, Pasadena, CA
- (1992) Technical Report No. CCSF-14-92
- Harrison, R.J.¹

36
- 0000747328
- (1994) J. Chem. Phys. , vol.100 , pp. 1303
- Limaye, A.C.¹ Gadre, S.R.²

37
- 0010762504
- edited by G. L. Malli (Plenum, New York
- (1994) Relativistic and Electronic Correlation Effects in Molecules and Clusters , vol.318 , pp. 315-338
- Dupuis, M.¹ Chin, S.² Marquez, A.³

38
- 0003068295
- (1994) Theor. Chim. Acta , vol.89 , pp. 77
- Windus, T.L.¹ Schmidt, M.E.² Gordon, M.S.³

39
- 84988074859
- (1988) J. Comput. Chem. , vol.9 , pp. 158
- Watts, J.D.¹ Dupuis, M.²

40
- 0024716378
- (1989) Comput. Phys. Commun. , vol.55 , pp. 31
- Moncrieff, D.¹ Baker, D.J.² Wilson, S.³

41
- 84950519490
- edited by S. Wilson (Plenum, New York, 1989),
- Concurrent Computation in Chemical Calculations , pp. 167–-1237
- Colvin, M.E.¹ Whiteside, R.A.² Schaefer, H.F.³

42
- 84872140994
- Department of Chemistry, University of California, Berkely, California
- (1986) Ph.D. thesis
- Colvin, M.E.¹

43
- 84950521601
- edited by S. Wilson (Plenum, New York
- (1989) Concurrent Computation in Chemical Calculations , pp. 1-61
- Wilson, S.¹

44
- 0001047589
- (1986) Adv. Quantum Chem. , vol.18 , pp. 281
- Kucharski, S.A.¹ Bartlett, R.J.²

45
- 0000639603
- (1991) Theor. Chim. Acta , vol.80 , pp. 387
- Kucharski, S.A.¹ Bartlett, R.J.²

46
- 0642267667
- (Institute of Electrical and Electronics Engineers and Association for Computing Machinery IEEE Computer Society, Los Alamitos)
- (1994) Supercomputing’94
- Nieplocha, J.¹ Harrison, R.J.² Littlefield, R.J.³

47
- 85034918463
- Global array tools library
- available for anonymous FTP from ftp.pnl.gov in the pub/global directory
- Nieplocha, J.¹ Harrison, R.J.²

48
- 84987083696
- (1991) Int. J. Quantum Chem. , vol.40 , pp. 847
- Harrison, R.J.¹

50
- 85034920237
- (to be published)
- J. Comput. Chem.
- Foster, I.T.¹ Tilson, J.² Wagner, A.F.³ Shepard, R.⁴ Harrison, R.J.⁵ Kendall, R.A.⁶ Littlefield, R.J.⁷

52
- 84950519491
- (unpublished work)
- Anchell, J.L.¹ Aprá, E.² Hess, A.C.³ Nichols, J.A.⁴ Stave, M.S.⁵ Taylor, H.L.⁶

53
- 85034923763
- (in preparation)
- Bernholdt, D.E.¹ Harrison, R.J.²

54
- 0003586998
- edited by T. G. Mattson (American Chemical Society, Washington, DC)
- (1994) Parallel Com puting in Computational Chemistry
- Lischka, H.¹ Dachsel, H.² Shepard, R.³ Harrison, R.J.⁴

55
- 85034924739
- (private communication)
- Rendell, A.P.¹

56
- 0018515759
- (1979) ACM Trans. Math. Software , vol.5 , pp. 308
- Lawson, C.¹ Hanson, R.² Kincaid, D.³ Krogh, F.⁴

57
- 84976742719
- (1979) ACM Trans. Math. Software , vol.5 , pp. 324
- Lawson, C.¹ Hanson, R.² Kincaid, D.³ Krogh, F.⁴

58
- 84950519483
- Matrix multiplication on the Intel Touchstone Delta
- Supercomputing Research Center, 17100 Science Drive, Bowie, MD 20715-4300. This paper is PRISM Working Note No. 11, available via anonymous FTP to ftp.super.org in the directory pub/prism
- Technical Report. SRC-TR-93-101
- Huss-Lederman, S.¹ Jacobson, E.M.² Tsao, A.³ Zhang, G.⁴

59
- 84950583870
- Oak Ridge National Laboratory, Oak Ridge, TN 37831 ( available on the Internet using the URL http://www.netlib.org/scalapack/pumma.ps.
- (1993) Technical Report No. ORNL/ TM-12252
- Choi, J.¹ Dongarra, J.J.² Walker, D.W.³

60
- 0002660075
- (1991) Chem. Phys. Lett. , vol.187 , pp. 21
- Lauderdale, W.J.¹ Stanton, J.F.² Gauss, J.³ Watts, J.D.⁴ Bartlett, R.J.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.