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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 52, 1984 - Issue 4
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Original Articles

The non-empirical calculation of second order molecular properties by means of effective states

I. Application to the time-dependent coupled Hartree-Fock method

F. Visser Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, 6525 ED, Nijmegen, The Netherlands
&
P.E.S. Wormer Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, 6525 ED, Nijmegen, The Netherlands
Pages 923-937 | Received 18 Jan 1984, Accepted 05 Mar 1984, Published online: 22 Aug 2006

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Ivana Adamovic & Mark S. Gordon . (2005) Dynamic polarizability, dispersion coefficient C6 and dispersion energy in the effective fragment potential method. Molecular Physics 103:2-3, pages 379-387.
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F.A. Gianturco, N. Sanna & S. Serna. (1993) Dynamical decoupling in the calculations of transport coefficients. Molecular Physics 78:4, pages 1015-1038.
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Jan Geertsen, Jens Oddershede & JohnR. Sabin. (1991) The quadrupole polarizability and spectral moments of the quadrupole oscillator strength distribution of N2 . Molecular Physics 72:6, pages 1267-1284.
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W. Rijks, M. Gerritsen & P.E.S. Wormer. (1989) Computation of the short range repulsion energy from correlated monomer wavefunctions in van der Waals dimers containing He, Ne, and N2 . Molecular Physics 66:5, pages 929-953.
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Giuseppe Figari, Gian Franco Musso & Valerio Magnasco. (1985) Two-centre calculation of dispersion coefficients. Molecular Physics 54:3, pages 689-699.
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Articles from other publishers (27)

Ivana Paidarová & Stephan P. A. Sauer. (2008) A Comparison of Møller-Plesset and Coupled Cluster Linear Response Theory Methods for the Calculation of Dipole Oscillator Strength Sum Rules and C6 Dispersion Coefficients. Collection of Czechoslovak Chemical Communications 73:11, pages 1415-1436.
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Gian Luigi Bendazzoli. (2005) Variational CI techniques for computing dispersion constants. International Journal of Quantum Chemistry 104:1, pages 38-51.
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Gian Luigi Bendazzoli & Antonio Monari. (2004) A Davidson technique for the computation of dispersion constants: Full CI results for Be and LiH. Chemical Physics 306:1-3, pages 153-161.
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George Maroulis. (2003) Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N2. The Journal of Chemical Physics 118:6, pages 2673-2687.
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Robert Moszynski, Paul E. S. Wormer, Bogumil Jeziorski & Ad van der Avoird. (1994) Symmetry-adapted perturbation theory calculation of the He–HF intermolecular potential energy surface. The Journal of Chemical Physics 101:4, pages 2811-2824.
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H. Hettema, P. E. S. Wormer, P. Jo/rgensen, H. J. Aa. Jensen & T. Helgaker. (1994) Frequency-dependent polarizabilities of O2 and van der Waals coefficients of dimers containing O2. The Journal of Chemical Physics 100:2, pages 1297-1302.
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Vincenzo Carravetta, Yi Luo & Hans Ågren. (1993) Accurate photoionization cross sections of diatomic molecules by multi-configuration linear response theory. Chemical Physics 174:1, pages 141-153.
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G. H. F. Diercksen, J. Oddershede, I. Paidarova & J. R. Sabin. (2004) A calculation of the isotropic and anisotropic spectral moments of the dipole oscillator strength distribution of N 2 . International Journal of Quantum Chemistry 39:6, pages 755-766.
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Mark A. Spackman. (1991) Time-dependent Hartree–Fock second-order molecular properties with a moderately sized basis set. II. Dispersion coefficients. The Journal of Chemical Physics 94:2, pages 1295-1305.
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A. J. Stone. 1991. Hydrogen-Bonded Liquids. Hydrogen-Bonded Liquids 25 47 .
Valerio Magnasco & Roy McWeeny. 1991. Theoretical Treatment of Large Molecules and Their Interactions. Theoretical Treatment of Large Molecules and Their Interactions 133 169 .
Valerio Magnasco & Roy McWeeny. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 133 169 .
P. W. Fowler, P. Jo/rgensen & J. Olsen. (1990) C 6 dispersion coefficients in multiconfiguration self-consistent field linear response theory . The Journal of Chemical Physics 93:10, pages 7256-7263.
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A. J. Stone. 1990. Dynamics of Polyatomic Van der Waals Complexes. Dynamics of Polyatomic Van der Waals Complexes 329 341 .
A.J. Stone & C.-S. Tong. (1989) Local and non-local dispersion models. Chemical Physics 137:1-3, pages 121-135.
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W. Rijks & P. E. S. Wormer. (1989) Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3. The Journal of Chemical Physics 90:11, pages 6507-6519.
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Joseph O. Hirschfelder. 1989. Advances in Chemical Physics. Advances in Chemical Physics 1 79 .
K. L. C. Hunt, Y. Q. Liang & S. Sethuraman. (1988) Transient, collision-induced changes in polarizability for atoms interacting with linear, centrosymmetric molecules at long range. The Journal of Chemical Physics 89:12, pages 7126-7138.
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George Maroulis & Ajit J. Thakkar. (1988) Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth-order many-body perturbation theory calculations. The Journal of Chemical Physics 88:12, pages 7623-7632.
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M. S. Bowers, K. T. Tang & J. Peter Toennies. (1988) The anisotropic potentials of He–N2, Ne–N2, and Ar–N2. The Journal of Chemical Physics 88:9, pages 5465-5474.
Crossref
Giuseppe Figari, Donatella Paci & Valerio Magnasco. (1988) Small GTO pseudostate calculations of multipole polarizabilities and dispersion coefficients between light atoms. Journal of Molecular Structure: THEOCHEM 164:3-4, pages 289-298.
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Piotr Piecuch. 1988. Molecules in Physics, Chemistry, and Biology. Molecules in Physics, Chemistry, and Biology 417 505 .
G Maroulis & A J Thakkar. (1987) Quadrupole and hexadecapole moments for molecular nitrogen. Journal of Physics B: Atomic and Molecular Physics 20:17, pages L551-L554.
Crossref
Paul E. S. Wormer & Wim Rijks. (1986) Analysis of the correlation effects in molecular second-order time-dependent properties: Application to the dynamic polarizabilities of the neon atom and the dispersion coefficients of the dimer . Physical Review A 33:5, pages 2928-2939.
Crossref
Aage E. Hansen & Thomas D. Bouman. (1985) Localized orbital/local origin method for calculation and analysis of NMR shieldings. Applications to 13C shielding tensors. The Journal of Chemical Physics 82:11, pages 5035-5047.
Crossref
Foppe Visser, Paul E. S. Wormer & Wim P. J. H. Jacobs. (1985) The nonempirical calculation of second-order molecular properties by means of effective states. III. Correlated dynamic polarizabilities and dispersion coefficients for He, Ne, H2, N2, and O2. The Journal of Chemical Physics 82:8, pages 3753-3764.
Crossref
Foppe Visser & Paul E.S. Wormer. (1985) The non-empirical calculation of second-order molecular properties by means of effective states. II. Effective TDCHF spectra for NO+ CO, CO2, and C2H2. Chemical Physics 92:1, pages 129-140.
Crossref

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