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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 5
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Original Articles

Spectroscopic properties and potential surfaces for atom-diatom van der Waals molecules

Jeremy M. Hutson Physical Chemistry Laboratory, Oxford University, South Parks Road, Oxford, OX1 3QZ, England
&
Brian J. Howard Physical Chemistry Laboratory, Oxford University, South Parks Road, Oxford, OX1 3QZ, England
Pages 1123-1141 | Received 28 Apr 1980, Published online: 22 Aug 2006

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V. Dryza & E.J. Bieske. (2013) Non-covalent interactions between metal cations and molecular hydrogen: spectroscopic studies of M+–H2 complexes. International Reviews in Physical Chemistry 32:4, pages 559-587.
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JEREMYM. HUTSON & BRIANJ. HOWARD. (2002) Anisotropic intermolecular forces. I. Rare gas—hydrogen chloride systems. Molecular Physics 100:1, pages 151-164.
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A.J. Duckett & M.S. Child. (1994) Rotating hinge dynamics of CO2HF: classical mechanics and semiclassical quantization. Molecular Physics 83:4, pages 719-740.
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A.J. Duckett & M.S. Child. (1994) Rotating hinge dynamics of CO2HF: the quantum mechanical picture. Molecular Physics 83:4, pages 701-717.
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JeremyG. Frey. (1990) Adiabatic and diabatic representations, coordinate and unitary transformations: coupled oscillators. Molecular Physics 71:3, pages 659-665.
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G. Brocks & A. van der Avoird. (1985) Infrared spectra of the van der Waals molecule (N2)2 . Molecular Physics 55:1, pages 11-32.
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JeremyM. Hutson & BrianJ. Howard. (1982) Anisotropic intermolecular forces. Molecular Physics 45:4, pages 791-805.
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JeremyM. Hutson & BrianJ. Howard. (1982) Anisotropic intermolecular forces. Molecular Physics 45:4, pages 769-790.
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JeremyM. Hutson & BrianJ. Howard. (1981) The intermolecular potential energy surface of Ar · HC1. Molecular Physics 43:3, pages 493-516.
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JeremyM. Hutson & BrianJ. Howard. (1980) A new approach to perturbation theory for breakdown of the Born-Oppenheimer approximation. Molecular Physics 41:5, pages 1113-1122.
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Articles from other publishers (57)

Ebrahim Nemati-Kande, Fatemeh Aghababaei & Salar Sadeghi. (2023) Quantum mechanical and classical calculation of the transport and relaxation properties of He⋯CO 2 complex using a new PES . Physical Chemistry Chemical Physics 25:19, pages 13521-13532.
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Salar Sadeghi & Ebrahim Nemati-Kande. (2023) Calculation of the Transport and Relaxation Properties of the Ar···HCl van der Waals Complex Using a New Potential Energy Surface: Comparison of the Classical and Full Quantum Mechanical Kinetic Theory Results with Molecular Dynamics Simulations. The Journal of Physical Chemistry A 127:4, pages 1053-1067.
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Jeremy M. Hutson & C. Ruth Le Sueur. (2019) bound and field: Programs for calculating bound states of interacting pairs of atoms and molecules. Computer Physics Communications 241, pages 1-8.
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Jeremy M. Hutson & C. Ruth Le Sueur. (2019) molscat: A program for non-reactive quantum scattering calculations on atomic and molecular collisions. Computer Physics Communications 241, pages 9-18.
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Matthew D. Frye, Masato Morita, Christophe L. Vaillant, Dermot G. Green & Jeremy M. Hutson. (2016) Approach to chaos in ultracold atomic and molecular physics: Statistics of near-threshold bound states for Li+CaH and Li+CaF. Physical Review A 93:5.
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Hamidreza Jouypazadeh, Mohammad Solimannejad & Hossein Farrokhpour. (2016) New potential energy surface and rovibrational spectra of Ar⋯HCl complex: An ab initio study. Computational and Theoretical Chemistry 1083, pages 64-71.
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Kaito Takahashi, Michael Y. Hayes & Rex T. Skodje. (2013) A study of resonance progressions in the F + HCl → Cl + HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes. The Journal of Chemical Physics 138:2.
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N. Inostroza, J.R. Letelier & M.L. Senent. (2010) On the numerical determination of Dunham’s coefficients: An application to X1Σ+HCl isotopomers. Journal of Molecular Structure: THEOCHEM 947:1-3, pages 40-44.
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Wolfgang P. Kraemer & Vladimír Špirko. (2006) Bound and low-lying quasi-bound rotation–vibration levels of the ground electronic state of . Chemical Physics 330:1-2, pages 190-203.
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Aleksandra A. Mikosz, Jordan A. Ramilowski & David Farrelly. (2006) Quantum solvation dynamics of HCN in a helium-4 droplet. The Journal of Chemical Physics 125:1.
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Rita Prosmiti, Sergio López-López & Alberto Garcı́a-Vela. (2004) Potential energy surface and rovibrational states of the ground Ar–HI complex. The Journal of Chemical Physics 120:14, pages 6471-6477.
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Wolfgang P. Kraemer, Vladimı́r Špirko & Ota Bludský. (2002) Bound and low-lying quasi-bound rotation–vibration energy levels of the ground and first excited electronic states of HeH2+. Chemical Physics 276:3, pages 225-242.
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Vladimı´r Sˇpirko & Wolfgang P. Kraemer. (2000) Rovibrational Energies of Triatomic Molecules by Means of the Rayleigh–Schrödinger Perturbation Theory. Journal of Molecular Spectroscopy 199:2, pages 236-244.
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Yves Justum, Fabien Gatti & Xavier Chapuisat. (1998) One-dimensional quantum description of the bending vibrations of HCN/CNH. Journal of Molecular Structure: THEOCHEM 453:1-3, pages 131-140.
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Zlatko Bačić & Yanhui Qiu. 1998. Molecular Clusters. Molecular Clusters 183 204 .
Xavier Chapuisat, Cécile Saint-Espès, Christian Zuhrt & Lutz Zülicke. (1997) A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH. Chemical Physics 217:1, pages 43-62.
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Yanhui Qiu & Zlatko Bačić. (1997) Exact six-dimensional quantum calculations of the rovibrational levels of (HCl)2. The Journal of Chemical Physics 106:6, pages 2158-2170.
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Prakashan P. Korambath, Xudong T. Wu & Edward F. Hayes. (1996) Enhanced Method for Determining Rovibrational Eigenstates of van der Waals Molecules. The Journal of Physical Chemistry 100:15, pages 6116-6124.
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Jonathon K. Gregory & David C. Clary. (1995) Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo. The Journal of Chemical Physics 102:20, pages 7817-7829.
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Jeremy M. Hutson. (1994) Coupled channel methods for solving the bound-state Schrödinger equation. Computer Physics Communications 84:1-3, pages 1-18.
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Cécile Saint-Espès, Xavier Chapuisat & Christian Zuhrt. (1994) A weak-mode representation of floppy molecules. Chemical Physics 188:1, pages 33-63.
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Millard H. Alexander, Susan Gregurick, Paul J. Dagdigian, George W. Lemire, Michael J. McQuaid & Rosario C. Sausa. (1994) Potential energy surfaces for the interaction of CH( X  2Π, B  2Σ−) with Ar and an assignment of the stretch-bend levels of the ArCH( B ) van der Waals molecule . The Journal of Chemical Physics 101:6, pages 4547-4560.
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G Danby, J Furlong, D Lodge, S Miller & A Patel. (1993) Theoretical studies of van der Waals molecules: the H 2 -CO dimer . Journal of Physics B: Atomic, Molecular and Optical Physics 26:22, pages 4127-4143.
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Adam R. Cooper, S. Jain & Jeremy M. Hutson. (1993) Methods for calculating the bound state energies of van der Waals trimers: Applications to Ar3. The Journal of Chemical Physics 98:3, pages 2160-2169.
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Jeremy M. Hutson. (1992) Vibrational dependence of the anisotropic intermolecular potential of Ar–HF. The Journal of Chemical Physics 96:9, pages 6752-6767.
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S.C. Althorpe, D.C. Clary & P.R. Bunker. (1991) Calculation of the far-infrared spectra for (HF)2, (HCL)2 and (HBr)2. Chemical Physics Letters 187:4, pages 345-353.
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M. Mladenović & Z. Bac̆ić. (1991) Rovibrational states of Ar–HCN van der Waals complex: A localized representation calculation. The Journal of Chemical Physics 94:7, pages 4988-5003.
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J. S. Muenter. (1991) An intermolecular potential function model applied to acetylene dimer, carbon dioxide dimer, and carbon dioxide acetylene. The Journal of Chemical Physics 94:4, pages 2781-2793.
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Joel M. Bowman & Bela Gazdy. (1990) A movable basis method to calculate vibrational energies of molecules. The Journal of Chemical Physics 93:3, pages 1774-1784.
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Seung E. Choi & J. C. Light. (1990) Determination of the bound and quasibound states of Ar–HCl van der Waals complex: Discrete variable representation method. The Journal of Chemical Physics 92:4, pages 2129-2145.
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Jeremy M. Hutson. (1990) Atom–asymmetric top van der Waals complexes: Angular momentum coupling in Ar–H2O. The Journal of Chemical Physics 92:1, pages 157-168.
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A.R. Tiller & D.C. Clary. (1989) Van der waals bound states and intermolecular bend-stretch coupling in NeC2H4 and Ar-tetrazine. Chemical Physics 139:1, pages 67-88.
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Jeremy M. Hutson. (1989) Anisotropic intermolecular potentials. III. Rare-gas–hydrogen bromide systems. The Journal of Chemical Physics 91:8, pages 4455-4461.
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Jeremy M. Hutson & S. Jain. (1989) On the coupled-channel calculation of bound states for trimeric systems using hyperspherical coordinates. The Journal of Chemical Physics 91:7, pages 4197-4203.
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A. R. Tiller, A. C. Peet & D. C. Clary. (1989) Prediction of the infrared spectrum for the neon–ethylene van der Waals complex. The Journal of Chemical Physics 91:2, pages 1079-1091.
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David J. Nesbitt, Mark S. Child & David C. Clary. (1989) Rydberg–Klein–Rees inversion of high resolution van der Waals infrared spectra: An intermolecular potential energy surface for Ar+HF ( v =1) . The Journal of Chemical Physics 90:9, pages 4855-4864.
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P. F. Vohralik, R. E. Miller & R. O. Watts. (1989) The argon hydrogen–fluoride differential scattering cross section. The Journal of Chemical Physics 90:4, pages 2182-2191.
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G.D. Hayman, J. Hodge, B.J. Howard, J.S. Muenter & T.R. Dyke. (1989) Infrared absorption spectra of Ar-OCS and Kr-OCS van der Waals complexes in the carbonyl stretching region. Journal of Molecular Spectroscopy 133:2, pages 423-437.
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Jeremy M. Hutson. (1988) The intermolecular potential of Ar–HCl: Determination from high-resolution spectroscopy. The Journal of Chemical Physics 89:8, pages 4550-4557.
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Jeremy M. Hutson. (1988) Coupled channel bound state calculations: Calculating expectation values without wavefunctions. Chemical Physics Letters 151:6, pages 565-569.
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L Delauney, G P Matthews & A Townsend. (1988) Capillary flow viscometer for corrosive gases. Journal of Physics E: Scientific Instruments 21:9, pages 890-895.
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Kerry L. Busarow, Geoffrey A. Blake, K. B. Laughlin, R. C. Cohen, Y. T. Lee & R. J. Saykally. (1988) Tunable far infrared laser spectroscopy of van der Waals bonds: Extended measurements on the lowest Σ bend of ArHCl. The Journal of Chemical Physics 89:3, pages 1268-1276.
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Diana G. Prichard, R. N. Nandi, J. S. Muenter & B. J. Howard. (1988) Vibration–rotation spectrum of the carbon dioxide–acetylene van der Waals complex in the 3 μ region. The Journal of Chemical Physics 89:3, pages 1245-1250.
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J. C. Light & Z. Bačić. (1987) Adiabatic approximation and nonadiabatic corrections in the discrete variable representation: Highly excited vibrational states of triatomic molecules. The Journal of Chemical Physics 87:7, pages 4008-4019.
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Ruth L. Robinson, Douglas Ray, Dz.-Hung Gwo & Richard J. Saykally. 1987. Structure and Dynamics of Weakly Bound Molecular Complexes. Structure and Dynamics of Weakly Bound Molecular Complexes 85 92 .
John S. Muenter. 1987. Structure and Dynamics of Weakly Bound Molecular Complexes. Structure and Dynamics of Weakly Bound Molecular Complexes 3 21 .
G. Brocks & T. Huygen. (1986) van der Waals rovibrational states of atom–molecule complexes: Ar–benzene and Ar–tetrazine. The Journal of Chemical Physics 85:6, pages 3411-3424.
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Jonathan Tennyson. (1986) The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates. Computer Physics Reports 4:1, pages 1-36.
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Jeremy G. Frey & Brian J. Howard. (1985) The calculation of the ground state energy of weakly bound van der waals trimers using the method of hyperspherical harmonics I. The Born—Oppenheimer and adiabatic approximations. Chemical Physics 99:3, pages 415-426.
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Jan Makarewicz. (1985) Adiabatic multi-step separation method and its application to coupled oscillators. Theoretica Chimica Acta 68:4, pages 321-334.
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Jeremy M. Hutson & Robert J. Le Roy. (1985) The secular equation/perturbation theory method for calculating spectra of van der Waals complexes. The Journal of Chemical Physics 83:3, pages 1197-1203.
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Jan Makarewicz, Andrzej Wierzbicki & Jacek Koput. (1985) Adiabatic, SCF and coupled SCF/virtual equations for multimode vibrational energies. Chemical Physics 97:2-3, pages 311-319.
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J Makarewicz. (1985) Breakdown of the adiabatic approximation for strong coupled oscillators. Journal of Physics A: Mathematical and General 18:4, pages 557-565.
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Thomas R. Dyke. 1984. Hydrogen Bonds. Hydrogen Bonds 85 113 .
Jonathan Tennyson. (1983) ATOMDIAT — A program for calculating variationally exact ro-vibrational levels of “floppy” triatomics. Computer Physics Communications 29:3, pages 307-319.
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C. J. Ashton, M. S. Child & Jeremy M. Hutson. (1983) Rotational predissociation of the Ar⋅HCl van der Waals complex: Close-coupled scattering calculations. The Journal of Chemical Physics 78:6, pages 4025-4039.
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Jonathan Tennyson & Ad van der Avoird. (1982) Quantum dynamics of the van der Waals molecule (N2)2: An ab initio treatment . The Journal of Chemical Physics 77:11, pages 5664-5681.
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