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Volumn 39, Issue 4, 1996, Pages 439-448

An SCF-CI method for determining the potential energy surface of a triatomic molecule

Author keywords

Highly excited vibrational states; Potential energy function; SCF CI approach; Triatomic molecule

Indexed keywords


EID: 0042950979     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (14)

References (15)
  • 1
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    • An efficient procedure for the calculation of the vibrational energy levels of any triatomic molecules
    • Carter, S., Handy, N. C., An efficient procedure for the calculation of the vibrational energy levels of any triatomic molecules, Mol. Phys., 1986, 57: 175.
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    • Carter, S.1    Handy, N.C.2
  • 2
    • 0000581058 scopus 로고
    • A new Morse oscillator-rigid bender internal dynamics (MORBID) Hamiltonian for triatomic molecules
    • Jensen, P., A new Morse oscillator-rigid bender internal dynamics (MORBID) Hamiltonian for triatomic molecules, J. Mol. Spectrosc., 1988, 128: 478.
    • (1988) J. Mol. Spectrosc. , vol.128 , pp. 478
    • Jensen, P.1
  • 3
    • 0010769410 scopus 로고
    • The potential energy surface for the electronic ground state of the water molecule determined from experimental data using a variational approach
    • Jensen, P., The potential energy surface for the electronic ground state of the water molecule determined from experimental data using a variational approach, J. Mol. Spectrosc., 1989, 133: 438.
    • (1989) J. Mol. Spectrosc. , vol.133 , pp. 438
    • Jensen, P.1
  • 5
    • 36749105013 scopus 로고
    • Self-consistent field energies and wavefunctions for coupled oscillators
    • Bowman, J. M., Self-consistent field energies and wavefunctions for coupled oscillators, J. Chen. Phys., 1978, 68: 608.
    • (1978) J. Chen. Phys. , vol.68 , pp. 608
    • Bowman, J.M.1
  • 6
    • 33845375177 scopus 로고
    • Excited vibrational states of polyatomic molecules: The semiclassical self-consistent-field approach
    • Ratner, M. A., Gerber, R. B., Excited vibrational states of polyatomic molecules: the semiclassical self-consistent-field approach, J. Phys. Chem., 1986, 90: 20.
    • (1986) J. Phys. Chem. , vol.90 , pp. 20
    • Ratner, M.A.1    Gerber, R.B.2
  • 7
    • 0010371874 scopus 로고
    • Optimization of vibrational coordinates with an application to the water molecule
    • Thompson, T. C., Truhlar, D. G., Optimization of vibrational coordinates with an application to the water molecule, J. Chem. Phys., 1982, 77: 3031.
    • (1982) J. Chem. Phys. , vol.77 , pp. 3031
    • Thompson, T.C.1    Truhlar, D.G.2
  • 8
    • 0006847885 scopus 로고
    • Use of rotated Jacobi coordinates to calculate vibrational levels of HCN
    • Zuniga, J., Bastida, A., Requena, A., Use of rotated Jacobi coordinates to calculate vibrational levels of HCN, J. Phys. Chem., 1992, 96: 9691.
    • (1992) J. Phys. Chem. , vol.96 , pp. 9691
    • Zuniga, J.1    Bastida, A.2    Requena, A.3
  • 9
    • 0011599731 scopus 로고
    • Theoretical study of highly excited vibrational states of bent triatomic molecules using transformed internal coordinates
    • Yan, G., Xie, D., Xie, J. et al., Theoretical study of highly excited vibrational states of bent triatomic molecules using transformed internal coordinates, J. Phys. Chem., 1993, 97: 1507.
    • (1993) J. Phys. Chem. , vol.97 , pp. 1507
    • Yan, G.1    Xie, D.2    Xie, J.3
  • 10
    • 0005703340 scopus 로고
    • A multiconfiguarational SCF computational method for the resolution of the vibrational Schrödinger equation in polyatomic molecules
    • Culot, F., Lievin, J., A multiconfiguarational SCF computational method for the resolution of the vibrational Schrödinger equation in polyatomic molecules, Theor. Chim. Acta, 1994, 89: 227.
    • (1994) Theor. Chim. Acta , vol.89 , pp. 227
    • Culot, F.1    Lievin, J.2
  • 11
    • 0343548141 scopus 로고
    • New numerical methods applied to solving the one-dimensional eigenvalue problem
    • Johnson, B. R., New numerical methods applied to solving the one-dimensional eigenvalue problem, J. Chem. Phys., 1977, 67: 4086.
    • (1977) J. Chem. Phys. , vol.67 , pp. 4086
    • Johnson, B.R.1
  • 13
    • 0001490742 scopus 로고
    • -1: A comparison of spectroscopically determined potential energy surfaces
    • -1: a comparison of spectroscopically determined potential energy surfaces, J. Mol. Spectrosc., 1991, 150: 597.
    • (1991) J. Mol. Spectrosc. , vol.150 , pp. 597
    • Fernley, J.A.1    Miller, S.2    Tennyson, T.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.