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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 57, 1986 - Issue 3
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Original Articles

Finite-field many-body perturbation theory IX. Electric properties of ammonia

Geerd H.F. Diercksen Max-Planck-Institut für Physik und Astrophysik, Institut für Astrophysik, Karl-Schwarzschild-Str.1, D-8046, Garching bei München, BRD
&
Andrzej J. Sadlej Theoretical Chemistry, Chemical Centre, University of Lund, Box 124, S-221 00, Lund, Sweden
Pages 509-528 | Received 25 Sep 1985, Accepted 17 Oct 1985, Published online: 23 Aug 2006

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AnthonyJ. Russell & MarkA. Spackman. (1995) Vibrational averaging of electrical properties. Molecular Physics 84:6, pages 1239-1255.
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K. Woliński, A.J. Sadlej & G. Karlström. (1991) Molecular quadrupole moments. Molecular Physics 72:2, pages 425-432.
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Paul Raeymaekers, HubertP. Figeys & Paul Geerlings. (1988) Ab initio calculations of static dipole polarizabilities using improved virtual orbitals and symmetry adapted polarization functions. Molecular Physics 65:4, pages 945-959.
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Articles from other publishers (55)

Andrej Antušek, Miroslav Urban & Andrzej J. Sadlej. (2003) Lone pair interactions with coinage metal atoms: Weak van der Waals complexes of the coinage metal atoms with water and ammonia. The Journal of Chemical Physics 119:14, pages 7247-7262.
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Rafał R. Toczyłowski, Robert C. Johnson & Sławomir M. Cybulski. (2002) An ab initio study of the potential energy surface of NH3–CO. Journal of Molecular Structure: THEOCHEM 591:1-3, pages 77-90.
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Piotr Jankowski, Susy N. Tsang, William Klemperer & Krzysztof Szalewicz. (2001) Spectra of N2–HF from symmetry-adapted perturbation theory potential. The Journal of Chemical Physics 114:20, pages 8948-8963.
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S O Adamson, A Zaitsevskii & N F Stepanov. (1998) Ab initio finite-field transition moment calculations . Journal of Physics B: Atomic, Molecular and Optical Physics 31:24, pages 5275-5280.
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Asger Halkier & Peter R Taylor. (1998) A theoretical investigation of the equilibrium electric dipole moment of ammonia. Chemical Physics Letters 285:1-2, pages 133-137.
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H.-H. Ritze. (1997) Ab initio calculations of the anionic sodium-ammonia complex. Chemical Physics Letters 275:3-4, pages 399-403.
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P. Piecuch, V. Špirko & J. Paldus. (1996) Molecular quadrupole moment function of ammonia. The Journal of Chemical Physics 105:24, pages 11068-11074.
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Alain Cartier, Marilia T. C. Martins-Costa & Daniel Rinaldi. (1996) Computation of electronic molecular polarizabilities by a variational method at the CISD level. International Journal of Quantum Chemistry 60:4, pages 883-895.
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Vladimír Špirko, Piotr Piecuch, Anne E. Kondo & Josef Paldus. (1996) Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects. The Journal of Chemical Physics 104:12, pages 4716-4727.
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Piotr Piecuch, Anne E. Kondo, Vladimír Špirko & Josef Paldus. (1996) Molecular quadrupole moment functions of HF and N2. I. Ab   initio linear-response coupled-cluster results . The Journal of Chemical Physics 104:12, pages 4699-4715.
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H.-H. Ritze & W. Radloff. (1996) Ab initio study of AgNH3 and its cation. Chemical Physics Letters 250:3-4, pages 415-420.
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Armin Klesing & Dieter H. Sutter. (1995) Magnetic properties of sulfur-containing molecules: rotational Zeeman effect and quantum chemical investigation of sulfine, CH2SO, and difluorothiocarbonyl, F2CS, and a new MWFT set-up for on-line pyrolysis studies. Journal of Molecular Structure 352-353, pages 357-369.
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Th. Freudenberg, W. Radloff, H. -H. Ritze, K. Weyers & V. Stert. (1995) Laser ionization spectroscopy of Ag(NH3) n clusters. Zeitschrift f�r Physik D Atoms, Molecules and Clusters 33:2, pages 119-124.
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Sean A.C. McDowell, Roger D. Amos & Nicholas C. Handy. (1995) Molecular polarisabilities - a comparison of density functional theory with standard ab initio methods. Chemical Physics Letters 235:1-2, pages 1-4.
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Stephan P. A. Sauer & Jens Oddershede. (2004) Correlated polarization propagator calculations of static polarizabilities. International Journal of Quantum Chemistry 50:5, pages 317-332.
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P.E.S. Wormer, E.H.T. Olthof, R.A.H. Engeln & J. Reuss. (1993) The rovibrational ν2 Raman spectrum of ammonia: a comparison of theory and experiment. Chemical Physics 178:1-3, pages 189-206.
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Hans Ulrich Suter & Tae-Kyu Ha. (1993) Influence of the atomic basis set on the calculated molecular properties and on the inversion potential of ammonia. Journal of Molecular Structure: THEOCHEM 283, pages 151-162.
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G. Chal/asiński, M. M. Szczȩśniak & S. Scheiner. (1993) Proton-donor properties of water and ammonia in van der Waals complexes. Be–H2O and Be–NH3. The Journal of Chemical Physics 98:9, pages 7020-7028.
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H.M. kelly & P.W. Fowler. (1993) Quadrupole moments, magnetisabilities and rotational g factors for first- and second-row hydrides. Chemical Physics Letters 206:5-6, pages 568-573.
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Claire Rist, Millard H. Alexander & P. Valiron. (1993) Scattering of NH3 by ortho - and para -H2: Expansion of the potential and collisional propensity rules . The Journal of Chemical Physics 98:6, pages 4662-4671.
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George Maroulis. (1992) A fourth-order many-body perturbation theory calculation of the first and second electric dipole hyperpolarizability of ammonia. Chemical Physics Letters 195:1, pages 85-91.
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Alison R. Offer & Marc C. van Hemert. (1992) Rotational excitation of H3O+: the effect of the inversion motion on the collisional cross sections. Chemical Physics 163:1, pages 83-89.
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B. T. Pickup. 1992. Atomic and Molecular Properties. Atomic and Molecular Properties 157 265 .
Mal/gorzata M. Szczȩśniak, Rick A. Kendall & Grzegorz Chal/asiński. (1991) A b   i n i t i o study of the nonadditive effects in the trimer of ammonia . The Journal of Chemical Physics 95:7, pages 5169-5178.
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M.G. Papadopoulos & J. Waite. (1991) The effect of basis set variation and correlation on the second hyperpolarizability of H2O. Journal of Molecular Structure: THEOCHEM 235:1-2, pages 137-146.
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Julia E. Rice & Nicholas C. Handy. (1991) The calculation of frequency-dependent polarizabilities as pseudo-energy derivatives. The Journal of Chemical Physics 94:7, pages 4959-4971.
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M. Bulski, P. E. S. Wormer & A. van der Avoird. (1991) A b   i n i t i o potential energy surfaces of Ar–NH3 for different NH3 umbrella angles . The Journal of Chemical Physics 94:1, pages 491-500.
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A. L. Vul'fov & M. M. Mestechkin. (1991) Nonempirical calculations of dipole moments of molecules in semifloating gaussian basis sets. Theoretical and Experimental Chemistry 26:4, pages 455-459.
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G. Ebel, R. Krohne, H. Meyer, U. Buck, R. Schinke, T. Seelemann, P. Andresen, J. Schleipen, J. J. ter Meulen & G. H. F. Diercksen. (1990) Rotationally inelastic scattering of NH3 with H2: Molecular-beam experiments and quantum calculations. The Journal of Chemical Physics 93:9, pages 6419-6432.
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Vladimir Špirko, Hans Jørgen Aa. Jensen & Poul Jørgensen. (1990) Dipole polarizability surfaces of ammonia. Chemical Physics 144:3, pages 343-351.
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W. Gründler, T. Steinke & P. Walther. (2004) H/He Molecules in strong electric fields. Journal of Computational Chemistry 11:5, pages 548-559.
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Zdzisław Latajka. (1990) Basis sets for molecular interactions. Journal of Molecular Structure: THEOCHEM 205, pages 13-24.
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G. Chal/asiński, S. M. Cybulski, M. M. Szczȩśniak & S. Scheiner. (1989) Analysis of the potential energy surface of Ar–NH3. The Journal of Chemical Physics 91:12, pages 7809-7817.
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Harold Basch, D.R. Garmer, P.G. Jasien, M. Krauss & W.J. Stevens. (1989) Electrical properties of nucleic acid bases. Chemical Physics Letters 163:6, pages 514-522.
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G. Danby & P. Valiron. (1989) Microwave double resonance as a diagnostic probe of ab initio NH3-H2 potentials. Chemical Physics Letters 163:1, pages 75-80.
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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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Geerd H.F. Diercksen & Andrzej J. Sadlej. (1988) Electric properties of ionic diatoms: LiF. Chemical Physics Letters 153:1, pages 93-97.
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Valerio Magnasco, Camilla Costa & Giuseppe Figari. (1988) Electrostatic interactions and the shape of van der Waals dimers. Journal of Molecular Structure: THEOCHEM 169, pages 105-117.
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P. Lazzeretti, R. Zanasi & R. Bursi. (1988) Electromagnetic nuclear shielding tensors and their relation to other second-order properties: A study of the ammonia molecule. The Journal of Chemical Physics 89:2, pages 987-997.
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Zdzisław Latajka & Steve Scheiner. (1988) Structure, energetics and vibrational spectra of H-bonded systems. Dimers and trimers of HF and HCl. Chemical Physics 122:3, pages 413-430.
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A.O. Bawagan, R. Müller-Fiedler, C.E. Brion, E.R. Davidson & C. Boyle. (1988) The valence orbitals of NH3 by electron momentum spectroscopy: Quantitative comparisons using Hartree-Fock limit and correlated wavefunctions. Chemical Physics 120:3, pages 335-357.
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Valerio Magnasco, Giuseppe Figari & Camilla Costa. (1988) Long-range coefficients for molecular interactions. Journal of Molecular Structure: THEOCHEM 164:1-2, pages 49-66.
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Stanislaw A. Kucharski, Jozef Noga & Rodney J. Bartlett. (1988) Dipole moment of IF and other interhalogen molecules. The Journal of Chemical Physics 88:2, pages 1035-1040.
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Mauricio, O. Matos, Björn O. Roos, A.J. Sadlej & G.H.F. Diercksen. (1988) A comparative CAS SCF and MBPT study of first-order electric properties of AlH. Chemical Physics 119:1, pages 71-77.
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Geerd H.F. Diercksen, Andrzej J. Sadlej, Dage Sundholm & Pekka Pyykkö. (1988) Towards an accurate determination of the nuclear quadrupole moment of Li from molecular data: LiF. Chemical Physics Letters 143:2, pages 163-168.
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Piotr Piecuch. 1988. Molecules in Physics, Chemistry, and Biology. Molecules in Physics, Chemistry, and Biology 417 505 .
Geerd H.F. Diercksen & Andrzej J. Sadlej. (1987) Second-order electric properties of the X 1Σ+ state of AlH. Chemical Physics Letters 141:6, pages 530-534.
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Grzegorz Chal/asinśki, Rick A. Kendall & Jack Simons. (1987) A b   i n i t i o studies of the structures and energies of the H−(H2O) and H−(H2O)2 complexes . The Journal of Chemical Physics 87:5, pages 2965-2975.
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Zdzisl/aw Latajka & Steve Scheiner. (1987) Primary and secondary basis set superposition error at the SCF and MP2 levels. H3N--Li+ and H2O--Li+. The Journal of Chemical Physics 87:2, pages 1194-1204.
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W. A. Sokalski & A. Sawaryn. (1987) Correlated molecular and cumulative atomic multipole moments. The Journal of Chemical Physics 87:1, pages 526-534.
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P. Lazzeretti & R. Zanasi. (1987) Electromagnetic nuclear shielding tensors and their relation to other second-order properties. A study of the methane molecule. The Journal of Chemical Physics 87:1, pages 472-480.
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David Feller, Caroline M. Boyle & Ernest R. Davidson. (1987) One-electron properties of several small molecules using near Hartree–Fock limit basis sets. The Journal of Chemical Physics 86:6, pages 3424-3440.
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Miroslav Urban, Ivan Černušák, Vladimír Kellö & Jozef Noga. 1987. Methods in Computational Chemistry. Methods in Computational Chemistry 117 250 .
G Danby, D R Flower, E Kochanski, L Kurdi, P Valiron & G H F Diercksen. (1986) Rotational excitation of ortho-NH 3 by para-H 2 . Journal of Physics B: Atomic and Molecular Physics 19:18, pages 2891-2906.
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J.S. Perkyns, P.G. Kusalik & G.N. Patey. (1986) On the dielectric constant of liquid ammonia. Chemical Physics Letters 129:3, pages 258-261.
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