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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 6
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Original Articles

Molecular electric polarizabilities

IV. Near-HF dipole polarizabilities of acetylene and ethylene using EFV GTO'sFootnote†

This research was supported by the Institute of Low Temperatures and Structure Research of the Polish Academy of Sciences under contract MR-I.9.4.3.

Andrzej J. Sadlej Institute of Organic Chemistry, Polish Academy of Sciences, PL-01 224, Warsaw 42, Poland
Pages 1701-1708 | Received 19 Jun 1978, Published online: 23 Aug 2006

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Ashok Kumar & WilliamJ. Meath. (1992) Dipole oscillator strength properties and dispersion energies for acetylene and benzene. Molecular Physics 75:2, pages 311-324.
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GeerdH.F. Diercksen & AndrzejJ. Sadlej. (1982) Perturbation theory of the electron correlation effects for atomic and molecular properties IV. Dipole polarizability of the fluoride ion. Molecular Physics 47:1, pages 33-53.
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AndrzejJ. Sadlej & Stephen Wilson. (1981) Scaling, Padé approximants and variation principles in the many-body perturbation theory of atomic and molecular properties. Molecular Physics 44:2, pages 299-317.
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K.E. Gubbins, C.G. Gray & J.R.S. Machado. (1981) Theory of fluids of non-axial quadrupolar molecules. Molecular Physics 42:4, pages 817-841.
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Krzysztof Woliński & AndrzejJ. Sadlej. (1980) Self-consistent perturbation theory. Molecular Physics 41:6, pages 1419-1430.
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Articles from other publishers (28)

P. Lazzeretti. (2000) Ring currents. Progress in Nuclear Magnetic Resonance Spectroscopy 36:1, pages 1-88.
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Fumio Shimizu, Yoshinori Nibu, Tomoe Osaki, Hiroko Shimada & Ryoichi Shimada. (1995) Raman Polarizability for Some Totally Symmetric Normal Vibrations of Naphthalene and Maleic Anhydride. Bulletin of the Chemical Society of Japan 68:1, pages 160-164.
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Kenneth Ruud, Trygve Helgaker, Keld L. Bak, Poul Jo/rgensen & Hans Jo/rgen Aa. Jensen. (1993) Hartree–Fock limit magnetizabilities from London orbitals. The Journal of Chemical Physics 99:5, pages 3847-3859.
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D.A. Morton-Blake & M.E. Mura. (1992) Polarizability calculations in conjugated hydrocarbon chains. Synthetic Metals 53:1, pages 37-46.
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Joseph D. Augspurger & Clifford E. Dykstra. (1992) Evolution of polarizabilities and hyperpolarizabilities with molecular aggregation: A model study of acetylene clusters. International Journal of Quantum Chemistry 43:1, pages 135-146.
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B. T. Pickup. 1992. Atomic and Molecular Properties. Atomic and Molecular Properties 157 265 .
George Maroulis & Ajit J. Thakkar. (1990) How important is electron correlation for the hyperpolarizability of ethyne?. The Journal of Chemical Physics 93:1, pages 652-656.
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P.W. Fowler & G.H.F. Diercksen. (1990) Polarisabilities of triply bonded molecules: The 14- and 26-electron systems CN−, N2, HCN, C2H2, C2N2, HC3N and C4H2. Chemical Physics Letters 167:1-2, pages 105-110.
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Trygve Helgaker & Jan Almlöf. (1988) Molecular wave functions and properties calculated using floating Gaussian orbitals. The Journal of Chemical Physics 89:8, pages 4889-4902.
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Michal Jaszuński, Antonio Rizzo & Danny L. Yeager. (1988) AB initio linear response calculations of the dipole polarizability of the acetylene molecule. Chemical Physics Letters 149:1, pages 79-84.
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Tadeusz Pluta, Andrzej J. Sadlej & Rodney J. Bartlett. (1988) Polarizability of OH−. Chemical Physics Letters 143:1, pages 91-96.
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Riccardo Zanasi & Paolo Lazzeretti. (1986) Analytic dipole moment geometric derivatives from nuclear electric shielding in molecules. II. Application to two-heavy atom molecules. The Journal of Chemical Physics 85:10, pages 5932-5935.
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M.M. Szczesniak & Steve Scheiner. (1986) Effect of secondary basis-set superposition error upon calculated vibrational intensities. Chemical Physics Letters 131:3, pages 230-236.
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Cynthia J. Jameson & P. W. Fowler. (1986) An a b   i n i t i o study of the molecular electric polarizabilities of N2, HCN, acetylene, and diacetylene . The Journal of Chemical Physics 85:6, pages 3432-3436.
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Yukio Yamaguchi, Michael Frisch, Jeffrey Gaw, Henry F. SchaeferIIIIII & J. Stephen Binkley. (1986) Analytic evaluation and basis set dependence of intensities of infrared spectra. The Journal of Chemical Physics 84:4, pages 2262-2278.
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J. Waite & M.G. Papadopoulos. (1984) The variation of calculated electric polarisabilities and hyperpolarisabilities, in cycloocta-1,5-diene, annulene, their anions and several of their derivatives, induced by changes in molecular structure and charge: A comparative study. Journal of Molecular Structure: THEOCHEM 108:3-4, pages 247-262.
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J.A. Hudis & R. Ditchfield. (1984) A new form of electric-field-dependent basis functions for the calculation of electric polarizabilities and dipole moments. Chemical Physics 86:3, pages 455-470.
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Prasanta K. Mukherjee, Tsutomu Minato & Delano P. Chong. (1983) Finite-field calculations of molecular polarizabilities using field-induced polarization functions. II. Second- and third-order perturbation correlation corrections to the coupled Hartree-Fock polarizability of HF. International Journal of Quantum Chemistry 23:2, pages 447-457.
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Andrzej J. Sadlej. (2004) Correlation effects in externally perturbed many‐electron systems. International Journal of Quantum Chemistry 23:1, pages 147-167.
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Geerd H.F. Diercksen, Michal Jaszuński & Andrzej J. Sadlej. (1982) Near-degeneracy effects and efficiency of MBPT calculations of molecular properties. Polarizability curve of H2. Chemical Physics 71:1, pages 105-115.
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Björn O. Roos & Andrzej J. Sadlej. (1982) Complete active space (CAS) SCF study of the dipole polarizability function for the X  1Σ+ state of LiH . The Journal of Chemical Physics 76:11, pages 5444-5451.
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Gunnar Karlström, Björn O. Roos & Andrzej J. Sadlej. (1982) Ground-state dipole polarizability of lithium hydride. Accurate SCF and CAS SCF calculations. Chemical Physics Letters 86:4, pages 374-379.
Crossref
G. H. F. Diercksen & A. J. Sadlej. (1981) Perturbation theory of the electron correlation effects for atomic and molecular properties. Second- and third-order correlation corrections to molecular dipole moments and polarizabilities. The Journal of Chemical Physics 75:3, pages 1253-1266.
Crossref
Andrzej J. Sadlej. (1981) Perturbation theory of the electron correlation effects for atomic and molecular properties. The Journal of Chemical Physics 75:1, pages 320-331.
Crossref
Geerd H.F. Diercksen, Björn O. Roos & Andrzej J. Sadlej. (1981) Legitimate calculation of first-order molecular properties in the case of limited CI functions. Dipole moments. Chemical Physics 59:1-2, pages 29-39.
Crossref
J.A. Hudis & R. Ditchfield. (1981) Molecular orbital studies of electrical polarizability tensors. Chemical Physics Letters 77:1, pages 202-207.
Crossref
Stephen Wilson & Andrzej J. Sadlej. (1981) Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals. Theoretica Chimica Acta 60:1, pages 19-39.
Crossref
R.D. Amos & J.H. Williams. (1979) Accurate SCF calculations of the multipole moments and polarizabilities of acetylene, ethylene and ethane. Chemical Physics Letters 66:3, pages 471-474.
Crossref

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