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Volumn 358, Issue 1774, 2000, Pages 2419-2432

H+3 near dissociation: Theoretical progress

Author keywords

Discrete variable representation; Massively parallel computers; Resonances

Indexed keywords


EID: 0347308084     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2000.0657     Document Type: Article
Times cited : (15)

References (54)
  • 2
    • 0000690504 scopus 로고
    • Theoretical methods for the ro-vibrational states of floppy molecules
    • Bačić, Z. & Light, J. C. 1989 Theoretical methods for the ro-vibrational states of floppy molecules. A. Rev. Phys. Chem. 40, 469-498.
    • (1989) A. Rev. Phys. Chem. , vol.40 , pp. 469-498
    • Bačić, Z.1    Light, J.C.2
  • 4
    • 36449007316 scopus 로고
    • Calculation of triatomic vibrational eigenstates: Product or contracted basis sets, Lanczos or conventional eigensolvers? What is the most efficient combination?
    • Bramley, M. J. & Carrington Jr, T. 1994 Calculation of triatomic vibrational eigenstates: product or contracted basis sets, Lanczos or conventional eigensolvers? What is the most efficient combination? J. Chem. Phys. 101, 8494-8507.
    • (1994) J. Chem. Phys. , vol.101 , pp. 8494-8507
    • Bramley, M.J.1    Carrington Jr., T.2
  • 10
    • 0001209112 scopus 로고    scopus 로고
    • 3 including adiabatic and relativistic effects. I. Calculation of the potential points
    • 3 including adiabatic and relativistic effects. I. Calculation of the potential points. J. Chem. Phys. 108, 2831-2836.
    • (1998) J. Chem. Phys. , vol.108 , pp. 2831-2836
    • Cencek, W.1    Rychlewski, J.2    Jaquet, R.3    Kutzelnigg, W.4
  • 27
    • 33748607211 scopus 로고    scopus 로고
    • 3 molecular ion for J = 0. An accurate calculation using filter diagonalisation
    • 3 molecular ion for J = 0. An accurate calculation using filter diagonalisation. J. Chem. Soc. Faraday Trans. 93, 847-860.
    • (1997) J. Chem. Soc. Faraday Trans. , vol.93 , pp. 847-860
    • Mandelshtam, V.A.1    Taylor, H.S.2
  • 30
    • 0000796924 scopus 로고    scopus 로고
    • Calculation of rotation-vibration states of water at dissociation
    • Mussa, H. Y. & Tennyson, J. 1998 Calculation of rotation-vibration states of water at dissociation. J. Chem. Phys. 109, 10885-10892.
    • (1998) J. Chem. Phys. , vol.109 , pp. 10885-10892
    • Mussa, H.Y.1    Tennyson, J.2
  • 31
    • 0034625303 scopus 로고    scopus 로고
    • Bound and quasi-bound rotation-vibrational states using massively parallel computers
    • In the press
    • Mussa, H. Y. & Tennyson, J. 2000 Bound and quasi-bound rotation-vibrational states using massively parallel computers. Computer Phys. Commun. (In the press.)
    • (2000) Computer Phys. Commun.
    • Mussa, H.Y.1    Tennyson, J.2
  • 32
    • 0031672551 scopus 로고    scopus 로고
    • Rotation-vibration calculations using massively parallel computers
    • Mussa, H. Y., Tennyson, J., Noble, C. J. & Allan, R. J. 1998 Rotation-vibration calculations using massively parallel computers. Computer Phys. Commun. 108, 29-37.
    • (1998) Computer Phys. Commun. , vol.108 , pp. 29-37
    • Mussa, H.Y.1    Tennyson, J.2    Noble, C.J.3    Allan, R.J.4
  • 37
    • 0001140940 scopus 로고    scopus 로고
    • 3 and its isotopomers to spectroscopic accuracy
    • 3 and its isotopomers to spectroscopic accuracy. J. Chem. Phys. 110, 5056-5064.
    • (1999) J. Chem. Phys. , vol.110 , pp. 5056-5064
    • Polyansky, O.L.1    Tennyson, J.2
  • 42
    • 0347510336 scopus 로고    scopus 로고
    • Quantum states of triatomic molecules at dissociation
    • (ed. R. Prosmiti, J. Tennyson & D. C. Clary), Daresbury: CCP6
    • Prosmiti, R., Mussa, H. Y. & Tennyson, J. 1998 Quantum states of triatomic molecules at dissociation. In Molecular quantum states at dissociation (ed. R. Prosmiti, J. Tennyson & D. C. Clary), pp. 12-16. Daresbury: CCP6.
    • (1998) Molecular Quantum States at Dissociation , pp. 12-16
    • Prosmiti, R.1    Mussa, H.Y.2    Tennyson, J.3
  • 43
    • 0000893683 scopus 로고
    • Proton-H2 scattering on an 06 initio CI potential energy surface. I. Vibrational excitation at 10 eV
    • Schinke, R., Dupius, M. & Lester Jr, W. A. 1980 Proton-H2 scattering on an 06 initio CI potential energy surface. I. Vibrational excitation at 10 eV. J. Chem. Phys. 72, 3909-3915.
    • (1980) J. Chem. Phys. , vol.72 , pp. 3909-3915
    • Schinke, R.1    Dupius, M.2    Lester Jr., W.A.3
  • 44
    • 0000557210 scopus 로고    scopus 로고
    • OH) with total angular momentum: Comparison between ab initio theory and experiment
    • OH) with total angular momentum: comparison between ab initio theory and experiment. J. Chem. Phys. 110, 9789-9792.
    • (1999) J. Chem. Phys. , vol.110 , pp. 9789-9792
    • Skokov, S.1    Bowman, J.M.2
  • 45
    • 0000803324 scopus 로고    scopus 로고
    • 2 calculation of the variation of resonance widths of HOCl with total angular momentum
    • 2 calculation of the variation of resonance widths of HOCl with total angular momentum. J. Chem. Phys. 111, 4933-4941.
    • (1999) J. Chem. Phys. , vol.111 , pp. 4933-4941
    • Skokov, S.1    Bowman, J.M.2
  • 46
    • 0000362511 scopus 로고
    • Modified heliocentric coordinates for particle dynamics
    • Smith, F. T. 1980 Modified heliocentric coordinates for particle dynamics. Phys. Rev. Lett. 45, 1157-1160.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 1157-1160
    • Smith, F.T.1
  • 47
    • 0000257618 scopus 로고
    • Rotational excitation with pointwise vibrational wavefunctions
    • Tennyson, J. 1993 Rotational excitation with pointwise vibrational wavefunctions. J. Chem. Phys. 98, 9658-9668.
    • (1993) J. Chem. Phys. , vol.98 , pp. 9658-9668
    • Tennyson, J.1
  • 51
    • 0029288387 scopus 로고
    • DVR3D: Programs for fully pointwise calculation of ro-vibrational spectra of triatomic molecules
    • Tennyson, J., Henderson, J. R. & Fulton, N. G. 1995 DVR3D: programs for fully pointwise calculation of ro-vibrational spectra of triatomic molecules. Computer Phys. Commun. 86, 175-198.
    • (1995) Computer Phys. Commun. , vol.86 , pp. 175-198
    • Tennyson, J.1    Henderson, J.R.2    Fulton, N.G.3
  • 53
    • 79951470547 scopus 로고
    • 3 using a Morse-based discrete variable representation
    • 3 using a Morse-based discrete variable representation. Can. J. Phys. 72, 238-249.
    • (1994) Can. J. Phys. , vol.72 , pp. 238-249
    • Watson, J.K.G.1
  • 54
    • 0001407219 scopus 로고
    • 3 computed using hyperspherical coordinates and harmonics
    • 3 computed using hyperspherical coordinates and harmonics. J. Chem. Phys. 101, 9817-9829.
    • (1994) J. Chem. Phys. , vol.101 , pp. 9817-9829
    • Wolniewicz, L.1    Hinze, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.