메뉴 건너뛰기




Volumn 137, Issue 22, 2012, Pages

Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense von Neumann lattice

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC OSCILLATORS; APPROXIMATE RESULTS; BASIS SETS; COUPLED SYSTEMS; ENERGY EIGENSTATES; EXACT RESULTS; FIRST-ORDER PERTURBATION THEORY; GAUSSIANS; HARMONIC OSCILLATORS; NON-ORTHOGONAL; PHASE SPACES; QUANTUM DYNAMICS CALCULATIONS;

EID: 84871240486     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4769402     Document Type: Article
Times cited : (32)

References (52)
  • 1
    • 18844445273 scopus 로고
    • (Special Issue on "Molecular Vibrations"). 10.1016/0010- 4655(88)90074-4
    • J. M. Bowman, Comp. Phys. Commun. 51, 225 (1988) (Special Issue on "Molecular Vibrations"). 10.1016/0010-4655(88)90074-4
    • (1988) Comp. Phys. Commun. , vol.51 , pp. 225
    • Bowman, J.M.1
  • 2
    • 0001731833 scopus 로고
    • 10.1021/ar00127a002
    • J. M. Bowman, Acc. Chem. Res. 19, 202 (1986). 10.1021/ar00127a002
    • (1986) Acc. Chem. Res. , vol.19 , pp. 202
    • Bowman, J.M.1
  • 6
    • 4544358753 scopus 로고    scopus 로고
    • 10.1063/1.1775766
    • B. Poirier, J. Chem. Phys. 121, 4501 (2004). 10.1063/1.1775766
    • (2004) J. Chem. Phys. , vol.121 , pp. 4501
    • Poirier, B.1
  • 17
    • 0033248424 scopus 로고    scopus 로고
    • 10.1103/RevModPhys.71.267
    • T. A. Arias, Rev. Mod. Phys. 71, 267 (1999). 10.1103/RevModPhys.71.267
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 267
    • Arias, T.A.1
  • 18
    • 84871239977 scopus 로고
    • Generalized wannier functions, Cornell University preprint
    • K. G. Wilson, Generalized wannier functions, Cornell University preprint, 1987.
    • (1987)
    • Wilson, K.G.1
  • 24
    • 33749319471 scopus 로고    scopus 로고
    • 10.1103/PhysRevE.74.036705
    • R. Lombardini and B. Poirier, Phys. Rev. E 74, 036705 (2006). 10.1103/PhysRevE.74.036705
    • (2006) Phys. Rev. e , vol.74 , pp. 036705
    • Lombardini, R.1    Poirier, B.2
  • 27
    • 84926780935 scopus 로고
    • 10.1080/00018735600101155
    • P.-O. Löwdin, Adv. Phys. 5, 1 (1956). 10.1080/00018735600101155
    • (1956) Adv. Phys. , vol.5 , pp. 1
    • Löwdin, P.-O.1
  • 29
    • 84871247843 scopus 로고    scopus 로고
    • Ref., Davis and Heller do briefly mention taking two linear combinations for each momentum-symmetrized pair of critically dense CS Gaussians, but only as a numerical trick for obtaining real-valued matrices. The resultant basis is fundamentally different from that of the single, doubly dense linear combination adopted here
    • In Ref., Davis and Heller do briefly mention taking two linear combinations for each momentum-symmetrized pair of critically dense CS Gaussians, but only as a numerical trick for obtaining real-valued matrices. The resultant basis is fundamentally different from that of the single, doubly dense linear combination adopted here.
  • 34
  • 35
    • 33745014742 scopus 로고
    • 10.1103/PhysRev.40.749
    • E. Wigner, Phys. Rev. 40, 749 (1932). 10.1103/PhysRev.40.749
    • (1932) Phys. Rev. , vol.40 , pp. 749
    • Wigner, E.1
  • 39
    • 0009159030 scopus 로고
    • 10.1088/0305-4470/19/1/013
    • B. Lesche and T. H. Seligman, J. Phys. A 19, 91 (1986). 10.1088/0305-4470/19/1/013
    • (1986) J. Phys. A , vol.19 , pp. 91
    • Lesche, B.1    Seligman, T.H.2
  • 42
    • 0035732893 scopus 로고    scopus 로고
    • 10.1023/A:1012642832253
    • B. Poirier, Found. Phys. 31, 1581 (2001). 10.1023/A:1012642832253
    • (2001) Found. Phys. , vol.31 , pp. 1581
    • Poirier, B.1
  • 43
    • 0034359313 scopus 로고    scopus 로고
    • 10.1023/A:1003632404712
    • B. Poirier, Found. Phys. 30, 1191 (2000). 10.1023/A:1003632404712
    • (2000) Found. Phys. , vol.30 , pp. 1191
    • Poirier, B.1
  • 44
    • 0035370546 scopus 로고    scopus 로고
    • 10.1016/S0167-8191(01)00073-4
    • R. Geus and S. Röllin, Parallel Comput. 27, 883 (2001). 10.1016/S0167-8191(01)00073-4
    • (2001) Parallel Comput. , vol.27 , pp. 883
    • Geus, R.1    Röllin, S.2
  • 45
    • 84871192933 scopus 로고    scopus 로고
    • See for information about the Blue Gene supercomputer
    • See http://www.research.ibm.com/bluegene for information about the Blue Gene supercomputer.
  • 46
    • 84871251177 scopus 로고    scopus 로고
    • See for information about the Blue Waters supercomputer
    • See http://www.ncsa.uiuc.edu/bluewaters/ for information about the Blue Waters supercomputer.
  • 48
    • 84871221294 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-137-010247 for a table of the lowest 150 computed eigenvalues for the D = 3 CAHO with α = β = 0.1
    • See supplementary material at http://dx.doi.org/10.1063/1.4769402 E-JCPSA6-137-010247 for a table of the lowest 150 computed eigenvalues for the D = 3 CAHO with α = β = 0.1.
  • 50
    • 84871241881 scopus 로고    scopus 로고
    • Ph.D. dissertation, University of Queensland, St. Lucia 4072, Australia
    • J. G. Wood, Ph.D. dissertation, University of Queensland, St. Lucia 4072, Australia, 2003.
    • (2003)
    • Wood, J.G.1
  • 52
    • 84865257620 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.109.070402
    • A. Shimshovitz and D. Tannor, Phys. Rev. Lett. 109, 070402 (2012). 10.1103/PhysRevLett.109.070402
    • (2012) Phys. Rev. Lett. , vol.109 , pp. 070402
    • Shimshovitz, A.1    Tannor, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.