J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09, Revision A.02 (Gaussian,
Inc., Wallingford, 2009)
3. H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, and others MOLPRO,
version 2009.1, a package of ab initio programs, see http://www.molpro.net
4. G. Maroulis, A systematic study of basis set, electron correlation, and geometry effects on
the electric multipole moments, polarizability, and hyperpolarizability of HCl. J. Chem.
Phys. 108(13), 5432–5448 (1998)
5. B. Linder, R.A. Kromhout, Van der Waals induced dipoles. J. Chem. Phys. 84(5), 2753–
2760 (1986)
6. P.W. Fowler, Dispersion dipoles, quadrupoles and electric-field gradients. Chem. Phys. 143,
447–457 (1990)
7. X. Li, M.H. Champagne, K.L.C. Hunt, Long-range, collision-induced dipoles of Td-D∞h
molecule pairs: theory and numerical results for CH4 or CF4 interacting with H2, N2, CO2,
or CS2. J. Chem. Phys. 109(19), 8416–8425 (1998)
8. J.E. Bohr, K.L.C. Hunt, Dipoles induced by van der Waals interactions during collisions of
atoms with heteroatoms or with centrosymmetric linear molecules. J. Chem. Phys. 86(10),
5441–5448 (1987)
9. M.H. Champagne, X. Li, K.L.C. Hunt, Nonadditive three-body polarizabilities of molecules
interacting at long range: theory and numerical results for the inert gases, H2, N2, CO2, and
CH4. J. Chem. Phys. 112(4), 1893–1906 (2000)
10. A. Unsöld, Quantentheorie des Wasserstoffmolekülions und der Born-Landéschen
Abstoβungskräfte. Z. Physik. 43, 563–574 (1927)
11. B.M. Smirnov, in Asymptotic Methods in Atomic Collisions (Atompress, Moscow, 1973, in
Russian)
12. B.M. Smirnov, E.E. Nikitin, in Atomic and Molecular Processes (Nauka, Moscow, 1988, in
Russian)
13. N. Zvereva-Loëte, YuN Kalugina, V. Boudon, M.A. Buldakov, V.N. Cherepanov, Dipole
moment surface of the van der Waals complex CH4–N2. J. Chem. Phys. 133, 184302 (2010)
14. D. Xenides, A. Hantzis, G. Maroulis, Comparison of high-level post-Hartree–Fock and DFT
methods on the calculation of interaction-induced electric properties of Kr–He. Chem. Phys.
382, 80–87 (2011)
15. A. Haskopoulos, G. Maroulis, Interaction dipole moment in Rg–Xe (Rg=He, Ne, Ar, and
Kr) heterodiatoms from conventional ab initio and density functional theory calculations.
J. Math. Chem. 40(3), 233–242 (2006)
16. L. Galatry, T. Gharbi, The long-range dipole moment of two interacting spherical systems.
Chem. Phys. Lett. 75(3), 427–433 (1980)
17. D.P. Craig, Elementaty derivation of long-range moments of two coupled centrosymmetric
systems. Chem. Phys. Lett. 80(1), 14–17 (1981)
18. W.B. Brown, D.M. Whisnant, Interatomic dispersion dipole. Mol. Phys. 26(5), 1105–1119
(1973)
19. D.M. Whisnant, W.B. Brown, Interatomic dispersion dipole. Mol. Phys. 25(6), 1385–1403
(1973)
20. J. Mahanty, C.K. Majumdar, Exchange-induced dipole moments in atom pairs. Phys. Rev.
A 26(5), 2334–2337 (1982)
21. P. Karamanis, G. Maroulis, How Important are high-level ab initio treatments for the
interaction dipole moment and polarizability of HeNe? Comput. Lett. (CoLe) 1(3), 117
(2005)
22. J. Goodisman, Dipole-moment function for diatomic molecules. J. Chem. Phys. 38(11),
2597–2599 (1963)
23. M.A. Buldakov, V.N. Cherepanov, The semiempirical dipole moment functions of the
molecules HX (X=F, Cl, Br, I, O), CO and NO. J. Phys. B: At. Mol. Opt. Phys. 37(19),
3973–3986 (2004)
24. R.J. Hinde, Interaction-induced dipole moment of Ar-H 2 dimer: dependence on the H 2 bond
length. J. Chem. Phys. 124, 154309 (2006)
References
45
Inc., Wallingford, 2009)
3. H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, and others MOLPRO,
version 2009.1, a package of ab initio programs, see http://www.molpro.net
4. G. Maroulis, A systematic study of basis set, electron correlation, and geometry effects on
the electric multipole moments, polarizability, and hyperpolarizability of HCl. J. Chem.
Phys. 108(13), 5432–5448 (1998)
5. B. Linder, R.A. Kromhout, Van der Waals induced dipoles. J. Chem. Phys. 84(5), 2753–
2760 (1986)
6. P.W. Fowler, Dispersion dipoles, quadrupoles and electric-field gradients. Chem. Phys. 143,
447–457 (1990)
7. X. Li, M.H. Champagne, K.L.C. Hunt, Long-range, collision-induced dipoles of Td-D∞h
molecule pairs: theory and numerical results for CH4 or CF4 interacting with H2, N2, CO2,
or CS2. J. Chem. Phys. 109(19), 8416–8425 (1998)
8. J.E. Bohr, K.L.C. Hunt, Dipoles induced by van der Waals interactions during collisions of
atoms with heteroatoms or with centrosymmetric linear molecules. J. Chem. Phys. 86(10),
5441–5448 (1987)
9. M.H. Champagne, X. Li, K.L.C. Hunt, Nonadditive three-body polarizabilities of molecules
interacting at long range: theory and numerical results for the inert gases, H2, N2, CO2, and
CH4. J. Chem. Phys. 112(4), 1893–1906 (2000)
10. A. Unsöld, Quantentheorie des Wasserstoffmolekülions und der Born-Landéschen
Abstoβungskräfte. Z. Physik. 43, 563–574 (1927)
11. B.M. Smirnov, in Asymptotic Methods in Atomic Collisions (Atompress, Moscow, 1973, in
Russian)
12. B.M. Smirnov, E.E. Nikitin, in Atomic and Molecular Processes (Nauka, Moscow, 1988, in
Russian)
13. N. Zvereva-Loëte, YuN Kalugina, V. Boudon, M.A. Buldakov, V.N. Cherepanov, Dipole
moment surface of the van der Waals complex CH4–N2. J. Chem. Phys. 133, 184302 (2010)
14. D. Xenides, A. Hantzis, G. Maroulis, Comparison of high-level post-Hartree–Fock and DFT
methods on the calculation of interaction-induced electric properties of Kr–He. Chem. Phys.
382, 80–87 (2011)
15. A. Haskopoulos, G. Maroulis, Interaction dipole moment in Rg–Xe (Rg=He, Ne, Ar, and
Kr) heterodiatoms from conventional ab initio and density functional theory calculations.
J. Math. Chem. 40(3), 233–242 (2006)
16. L. Galatry, T. Gharbi, The long-range dipole moment of two interacting spherical systems.
Chem. Phys. Lett. 75(3), 427–433 (1980)
17. D.P. Craig, Elementaty derivation of long-range moments of two coupled centrosymmetric
systems. Chem. Phys. Lett. 80(1), 14–17 (1981)
18. W.B. Brown, D.M. Whisnant, Interatomic dispersion dipole. Mol. Phys. 26(5), 1105–1119
(1973)
19. D.M. Whisnant, W.B. Brown, Interatomic dispersion dipole. Mol. Phys. 25(6), 1385–1403
(1973)
20. J. Mahanty, C.K. Majumdar, Exchange-induced dipole moments in atom pairs. Phys. Rev.
A 26(5), 2334–2337 (1982)
21. P. Karamanis, G. Maroulis, How Important are high-level ab initio treatments for the
interaction dipole moment and polarizability of HeNe? Comput. Lett. (CoLe) 1(3), 117
(2005)
22. J. Goodisman, Dipole-moment function for diatomic molecules. J. Chem. Phys. 38(11),
2597–2599 (1963)
23. M.A. Buldakov, V.N. Cherepanov, The semiempirical dipole moment functions of the
molecules HX (X=F, Cl, Br, I, O), CO and NO. J. Phys. B: At. Mol. Opt. Phys. 37(19),
3973–3986 (2004)
24. R.J. Hinde, Interaction-induced dipole moment of Ar-H 2 dimer: dependence on the H 2 bond
length. J. Chem. Phys. 124, 154309 (2006)
References
45