Dispersion Energy from Density-Functional Theory Description of Monomers

Physical Review Letters

Volumn 91, Issue 3, 2003, Pages

  Misquitta, Alston J ^a   Jeziorski, Bogumil ^b   Szalewicz, Krzysztof ^a,c  

^a UNIVERSITY OF DELAWARE   (United States)

^b UNIVERSITY OF WARSAW   (Poland)

^c PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; HELIUM; MATHEMATICAL OPERATORS; MOLECULAR DYNAMICS; NEON; PHASE SEPARATION; PROBABILITY DENSITY FUNCTION; WATER;

DISPERSION ENERGY; INTERMONOMER SEPARATIONS; WAVE FUNCTION METHODS;

MONOMERS;

EID: 0042386558     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.91.033201     Document Type: Article

References (38)

1. X. Wu, M.C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys.JCPSA610.1063/1.1412004 115, 8748 (2001).
2. B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94, 1887 (1994).
3. R.J. Bartlett, J. Phys. Chem. 93, 1697 (1989).
4. H.L. Williams and C.F. Chabalowski, J. Phys. Chem. A10.1021/jp003883p 105, 646 (2001).
5. A.J. Misquitta and K. Szalewicz, Chem. Phys. Lett.10.1016/S0009-2614(02)00533-X 357, 301 (2002).
6. A. Hesselmann and G. Jansen, Chem. Phys. Lett.10.1016/S0009-2614(02)00538-9 357, 464 (2002);
7. A. HesselmannG. JansenChem. Phys. Lett.10.1016/S0009-2614(02)01097-7362, 319 (2002).
8. T. Korona, H.L. Williams, R. Bukowski, B. Jeziorski, and K. Szalewicz, J. Chem. Phys.JCPSA610.1063/1.473556 106, 5109 (1997).
9. A.J. Misquitta and K. Szalewicz (to be published).
10. H.C. Longuet-Higgins, Discuss Faraday Soc. 40, 7 (1965).
11. Y. Dmitriev and G. Peinel, Int. J. Quantum Chem.IJQCB2 19, 763 (1981).
12. R. McWeeny, Croat. Chem. Acta 57, 865 (1984).
13. M. Jaszunski and R. McWeeny, Mol. Phys. 55, 1275 (1985);
14. M. JaszunskiR. McWeenyMol. Phys.57, 1317 (1986).
15. P.J. Knowles and W.J. Meath, Chem. Phys. Lett.10.1016/0009-2614(86)85137-5 124, 164 (1986);
16. P.J. KnowlesW.J. MeathMol. Phys. 59, 965 (1986).
17. R. Bukowski et al, SAPT2002: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies, University of Delaware and University of Warsaw, 2003.
18. S. Rybak, B. Jeziorski, and K. Szalewicz, J. Chem. Phys.JCPSA610.1063/1.461528 95, 6576 (1991).
19. S. Rybak, K. Szalewicz, B. Jeziorski, and M. Jaszunski, J. Chem. Phys.JCPSA610.1063/1.452542 86, 5652 (1987).
20. R. Moszynski, B. Jeziorski, and K. Szalewicz, Int. J. Quantum Chem.IJQCB2 45, 409 (1993).
21. H.L. Williams, K. Szalewicz, B. Jeziorski, and R. Moszynski, J. Chem. Phys.JCPSA610.1063/1.470646 103, 4586 (1995).
22. S.M. Colwell, N.C. Handy, and A.M. Lee, Phys. Rev. A10.1103/PhysRevA.53.1316 53, 1316 (1996).
23. A.G. Ioannou, S.M. Colwell, and R.D. Amos, Chem. Phys. Lett.10.1016/S0009-2614(97)00978-0 278, 278 (1997).
24. F.R. Manby, P.J. Knowles, and A.W. Lloyd, Chem. Phys. Lett.10.1016/S0009-2614(01)00075-6 335, 409 (2001);
25. F.R. ManbyP.J. KnowlesA.W. LloydJ. Chem. Phys.JCPSA610.1063/1.1414370 115, 9144 (2001).
26. R.D. Amos, with contributions from I.L. Alberts et al, CADPAC: The Cambridge Analytic Derivatives Package Issue 6, 1995.
27. A.D. Becke, J. Chem. Phys.JCPSA610.1063/1.475007 107, 8554 (1997).
28. P.J. Wilson, T.J. Bradley, and D.J. Tozer, J. Chem. Phys.JCPSA610.1063/1.1412605 115, 9233 (2001).
29. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett.10.1103/PhysRevLett.77.3865 77, 3865 (1996).
30. C. Adamo, M. Cossi, and V. Barone, J. Mol. Struct.JMOSB4 (Theochem) 493, 145 (1999).
31. F.A. Hamprecht, A.J. Cohen, D.J. Tozer, and N.C. Handy, J. Chem. Phys.JCPSA610.1063/1.477267 109, 6264 (1998).
32. A.D. Boese and N.C. Handy, J. Chem. Phys.JCPSA610.1063/1.1347371 114, 5497 (2001).
33. D.J. Tozer and N.C. Handy, J. Chem. Phys.JCPSA610.1063/1.477711 109, 10180 (1998).
34. H.L. Williams, E.M. Mas, K. Szalewicz, and B. Jeziorski, J. Chem. Phys.JCPSA610.1063/1.470309 103, 7374 (1995).
35. R.A. Kendall, T.H. Dunning, and R.J. Harrison, J. Chem. Phys.JCPSA610.1063/1.462569 96, 6796 (1992).
36. C. Adamo, M. Cossi, G. Scalmani, and V. Barone, Chem. Phys. Lett. 307, 265 (1999).
37. M. Gruning, O.V. Gritsenko, S.J.A. van�Gisbergen, and E. J. Baerends, J. Chem. Phys.JCPSA610.1063/1.1476007 116, 9591 (2002).
38. A. Hesselmann and G. Jansen, Chem. Phys. Lett.10.1016/S0009-2614(02)01796-7 367, 778 (2003).