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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 47, 1982 - Issue 4
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Original Articles

The equation of state of hydrogen from an ab initio potential surface

Joachim Schaefer Max Planck Institut für Astrophysik, Garching bei Munchen, West Germany
&
R.O. Watts Research School of Physical Sciences, The Australian National University, Canberra, Australia
Pages 933-944 | Received 12 Apr 1982, Accepted 12 Jun 1982, Published online: 11 Aug 2006

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Mitsuo Koshi, Shin-ichi Tsuda & Kazuya Shimizu. (2012) An evaluation of the thermal properties of H2 and O2 on the basis of ab initio calculations for their intermolecular interactions. Molecular Simulation 38:5, pages 356-365.
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QINYU WANG. (1996) Thermodynamic properties and phase equilibrium of fluid hydrogen from path integral simulations. Molecular Physics 89:4, pages 1105-1119.
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Articles from other publishers (20)

Amin Mohammadi, Saeed Nasiri & Mansour Zahedi. (2020) Coupled Cluster and Quantum Monte-Carlo study of anionic hydrogen clusters . Chemical Physics Letters 744, pages 137216.
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S.M. Osman, N. Sulaiman & M. Bahaa Khedr. (2016) Thermophysical properties of hydrogen along the liquid–vapor coexistence. Physica A: Statistical Mechanics and its Applications 449, pages 291-300.
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Jonathan L. Belof, Abraham C. Stern & Brian Space. (2008) An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation. Journal of Chemical Theory and Computation 4:8, pages 1332-1337.
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Leonardo G. Diniz & José R. Mohallem. (2008) Towards universal potentials for (H2)2 and isotopic variants: Post-Born–Oppenheimer contributions. The Journal of Chemical Physics 128:21.
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Matthew Carmichael, Kimberly Chenoweth & Clifford E. Dykstra. (2004) Hydrogen Molecule Clusters. The Journal of Physical Chemistry A 108:15, pages 3143-3152.
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Francesco Operetto & Francesco Pederiva. (2004) Variational Monte Carlo study of the ground-state properties and vacancy formation energy of solid para- using a shadow wave function . Physical Review B 69:2.
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Phong Diep & J. Karl Johnson. (2000) An accurate H2–H2 interaction potential from first principles. The Journal of Chemical Physics 112:10, pages 4465-4473.
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Joachim Schaefer. 1995. Collision- and Interaction-Induced Spectroscopy. Collision- and Interaction-Induced Spectroscopy 485 494 .
Daphna Scharf, Michael L. Klein & Glenn J. Martyna. (1992) Path-integral Monte Carlo studies of para -hydrogen clusters . The Journal of Chemical Physics 97:5, pages 3590-3599.
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Daphna Scharf, Glenn J. Martyna & Michael L. Klein. (1992) Isotope effect on the melting of para-hydrogen and ortho-deuterium clusters. Chemical Physics Letters 197:3, pages 231-235.
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R. Artym & M. Kliem. (2010) Berechnung des zweiten Virialkoeffizienten B ( T ) für gasförmigen molekularen Wasserstoff im Temperaturintervall von 1 K bis 3000 K . Berichte der Bunsengesellschaft für physikalische Chemie 95:10, pages 1274-1279.
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J. Schaefer & W. E. K�hler. (1989) Low temperature second virial coefficients of para-H2 gas obtained from quantum mechanical pair correlation functions. Zeitschrift f�r Physik D Atoms, Molecules and Clusters 13:3, pages 217-229.
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G Danby. (1989) Theoretical studies of van der Waals molecules: the D 2 -D 2 dimer . Journal of Physics B: Atomic, Molecular and Optical Physics 22:11, pages 1785-1807.
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Joachim Schaefer & Louis Monchick. (1987) Line shape cross sections of HD immersed in HE and H2 gas. I. Pressure broadening cross sections. The Journal of Chemical Physics 87:1, pages 171-181.
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L. Monchick & L. W. Hunter. (1986) Diatomic–diatomic molecular collision integrals for pressure broadening and Dicke narrowing: A generalization of Hess’s theory. The Journal of Chemical Physics 85:2, pages 713-718.
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Joachim Schaefer. 1985. Molecular Astrophysics. Molecular Astrophysics 497 516 .
U. Buck. 1985. Molecular Astrophysics. Molecular Astrophysics 433 451 .
M. J. Norman, R. O. Watts & U. Buck. (1984) A spherical potential for hydrogen from solid state and scattering data. The Journal of Chemical Physics 81:8, pages 3500-3504.
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M. Ross, F. H. Ree & D. A. Young. (1983) The equation of state of molecular hydrogen at very high densitya). The Journal of Chemical Physics 79:3, pages 1487-1494.
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U. Buck, F. Huisken, A. Kohlhase, D. Otten & J. Schaefer. (1983) State resolved rotational excitation in D2+H2 collisions. The Journal of Chemical Physics 78:7, pages 4439-4450.
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