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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 47, 1982 - Issue 6
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Original Articles

A variational method for the calculation of vibrational levels of any triatomic molecule

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Pages 1445-1455 | Received 04 Jun 1982, Accepted 07 Sep 1982, Published online: 22 Aug 2006

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Read on this site (29)

A.I. Pavlyuchko, S.N. Yurchenko & Jonathan Tennyson. (2015) Hybrid variational–perturbation method for calculating ro-vibrational energy levels of polyatomic molecules. Molecular Physics 113:13-14, pages 1559-1575.
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R. Islampour, M. Gharibi & M. Miralinaghi. (2006) The molecular Hamiltonian in Jacobi coordinates. Molecular Physics 104:12, pages 1879-1890.
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Stuart Carter, Nicholas C. Handy & Riccardo Tarroni . (2005) A variational method for the calculation of spin–rovibronic energy levels of any triatomic molecule in an electronic triplet state. Molecular Physics 103:6-8, pages 1131-1137.
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CLEMENS WOYWOD. (1998) Localization transformations of orthogonal functions. Molecular Physics 95:4, pages 713-724.
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Erminia Leonardi, Carlo Petrongolo, Vijaya Keshari, Gerhard Hirsch & RobertJ. Buenker. (1994) Ab initio study of NO2 . Molecular Physics 82:3, pages 553-565.
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Yan Li, Stuart Carter, Gerhard Hirsch & RobertJ. Buenker. (1993) Theoretical calculation of the potential surfaces and vibrational frequencies of the A 2Σ+ and X 2Π electronic states of the NCO radical. Molecular Physics 80:1, pages 145-152.
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AdrianT. Wong & GeorgeB. Bacskay. (1993) Ab initio potential energy surface and vibrational frequencies of HCN. Molecular Physics 79:4, pages 819-834.
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Gerhard Hirsch, RobertJ. Buenker & Carlo Petrongolo. (1990) Ab initio study of NO2 . Molecular Physics 70:5, pages 835-848.
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Carlo Petrongolo, Gerhard Hirsch & RobertJ. Buenker. (1990) Diabatic representation of the Ã2A1[Btilde]2B2 conical intersection in NH2 . Molecular Physics 70:5, pages 825-834.
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GeoffreyE. Quelch, Yaoming Xie, BrianF. Yates, Yukio Yamaguchi & HenryF. Schaefer$suffix/text()$suffix/text(). (1989) The HO2 + ion. Molecular Physics 68:5, pages 1095-1109.
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Jan Makarewicz & Wiesłlaw Łodyga. (1988) Self-consistent internal axes for a rotating-vibrating triatomic molecule. Molecular Physics 64:5, pages 899-919.
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BrianT. Sutcliffe & Jonathan Tennyson. (1986) A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules. Molecular Physics 58:6, pages 1053-1066.
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S. Carter & N.C. Handy. (1984) The vibrational levels of C2H2 using an internal coordinate vibrational hamiltonian. Molecular Physics 53:4, pages 1033-1039.
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G.J. Sexton & N.C. Handy. (1984) Ab initio calculation for the fundamental frequencies of H2O. Molecular Physics 51:6, pages 1321-1330.
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Jonathan Tennyson & BrianT. Sutcliffe. (1984) On the rovibrational levels of the H3 + and H2D+ molecules. Molecular Physics 51:4, pages 887-906.
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G. Brocks, A. van der Avoird, B.T. Sutcliffe & J. Tennyson. (1983) Quantum dynamics of non-rigid systems comprising two polyatomic fragments. Molecular Physics 50:5, pages 1025-1043.
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S. Carter, N.C. Handy & B.T. Sutcliffe. (1983) A variational method for the calculation of rovibrational levels of any triatomic molecule. Molecular Physics 49:3, pages 745-748.
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P. Knowles, N.C. Handy & S. Carter. (1983) A potential energy surface for the ground state of CH2 . Molecular Physics 49:3, pages 681-694.
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