메뉴 건너뛰기




Volumn 109, Issue 4, 2008, Pages 549-558

Theoretical line list of D2 16O up to 16,000 cm-1 with an accuracy close to experimental

Author keywords

Line list; Potential energy surface; Spectrum; Water

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULES; POTENTIAL ENERGY SURFACES; SPECTRUM ANALYSIS; VARIATIONAL TECHNIQUES; VIBRATIONAL SPECTRA;

EID: 36048988066     PISSN: 00224073     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jqsrt.2007.07.010     Document Type: Article
Times cited : (31)

References (31)
  • 2
    • 33751567029 scopus 로고    scopus 로고
    • The CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule
    • Barletta P., Shirin S.V., Zobov N.F., Polyansky O.L., Tennyson J., Valeev E.F., et al. The CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule. J Chem Phys 125 204307 (2006) 1-18
    • (2006) J Chem Phys , vol.125 , Issue.204307 , pp. 1-18
    • Barletta, P.1    Shirin, S.V.2    Zobov, N.F.3    Polyansky, O.L.4    Tennyson, J.5    Valeev, E.F.6
  • 8
    • 0002633507 scopus 로고    scopus 로고
    • 2O line positions and strengths
    • 2O line positions and strengths. J Mol Spectrosc 195 (1999) 98-122
    • (1999) J Mol Spectrosc , vol.195 , pp. 98-122
    • Toth, R.A.1
  • 22
    • 36049006927 scopus 로고    scopus 로고
    • Campargue A, Mazzotti F, Béguier S, Polyansky O, Vasilenko I, Naumenko O. J Mol Spectrosc, in press, doi:10.1016/j.jms.2007.07.003.
  • 23
    • 36048995745 scopus 로고    scopus 로고
    • Shirin SV, Zobov NF, Polyansky OL, Tennyson J. J Chem Phys, in preparation.
  • 24
    • 5744221776 scopus 로고    scopus 로고
    • DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules, computer physics communications
    • Tennyson J., Kostin M.A., Barletta P., Harris G.J., Ramanlal J., Polyansky O.L., et al. DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules, computer physics communications. Comput Phys Commun 163 (2004) 85-116
    • (2004) Comput Phys Commun , vol.163 , pp. 85-116
    • Tennyson, J.1    Kostin, M.A.2    Barletta, P.3    Harris, G.J.4    Ramanlal, J.5    Polyansky, O.L.6
  • 25
    • 0000699510 scopus 로고
    • The effect of the breakdown of the Born-Oppenheimer approximation on the rotation-vibration Hamiltonian of a triatomic molecule
    • Bunker P.R., and Moss R.E. The effect of the breakdown of the Born-Oppenheimer approximation on the rotation-vibration Hamiltonian of a triatomic molecule. J Mol Spectrosc 80 (1980) 217-228
    • (1980) J Mol Spectrosc , vol.80 , pp. 217-228
    • Bunker, P.R.1    Moss, R.E.2
  • 27
  • 29
    • 0034296627 scopus 로고    scopus 로고
    • Convergence testing of the analytic representation of an ab initio dipole moment function for water: improved fitting yields improved intensities
    • Schwenke D.W., and Partridge H. Convergence testing of the analytic representation of an ab initio dipole moment function for water: improved fitting yields improved intensities. J Chem Phys 113 (2000) 6592-6597
    • (2000) J Chem Phys , vol.113 , pp. 6592-6597
    • Schwenke, D.W.1    Partridge, H.2
  • 30
    • 0141927611 scopus 로고    scopus 로고
    • Assignment of quantum numbers to calculated highly exited energy levels of water molecule
    • Zobov N.F., Polyansky O.L., Savin V.A., and Shirin S.V. Assignment of quantum numbers to calculated highly exited energy levels of water molecule. Atmos Oceanic Opt 13 (2000) 1024-1028
    • (2000) Atmos Oceanic Opt , vol.13 , pp. 1024-1028
    • Zobov, N.F.1    Polyansky, O.L.2    Savin, V.A.3    Shirin, S.V.4
  • 31
    • 0036008160 scopus 로고    scopus 로고
    • 1A′) from a multiproperty fit to accurate ab initio energies and vibrational levels
    • 1A′) from a multiproperty fit to accurate ab initio energies and vibrational levels. Spectrochim Acta part A 58 4 (2002) 629-635
    • (2002) Spectrochim Acta part A , vol.58 , Issue.4 , pp. 629-635
    • Varandas, A.J.C.1    Rodrigues, S.P.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.