Crossref journal-article
American Chemical Society (ACS)
The Journal of Physical Chemistry A (316)
Bibliography

Williams, H. L., & Chabalowski, C. F. (2000). Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory to Investigate Intermolecular Interactions. The Journal of Physical Chemistry A, 105(3), 646–659.

Authors 2
  1. Hayes L. Williams (first)
  2. Cary F. Chabalowski (additional)
References 67 Referenced 238
  1. 10.1103/PhysRev.136.B864 / Phys. Rev. B by Hohenberg P. (1964)
  2. 10.1103/PhysRev.140.A1133 / J. Phys. Rev. A by Kohn W. (1965)
  3. {'volume-title': 'Density-Functional Theory of Atoms and Molecules', 'year': '1989', 'author': 'Parr R. G.', 'key': 'jp003883pb00003/jp003883pb00003_1'} / Density-Functional Theory of Atoms and Molecules by Parr R. G. (1989)
  4. 10.1021/cr00005a001 / Chem. Rev. by Ziegler T. (1991)
  5. 10.1146/annurev.pc.46.100195.003413 / Annu. Rev. Phys. Chem. by Parr R. G. (1995)
  6. 10.1016/0009-2614(94)01027-7 / Chem. Phys. Lett. by Kristyan S. (1994)
  7. 10.1016/0009-2614(94)01402-H / Chem. Phys. Lett. by Perez-Jorda J. M. (1995)
  8. 10.1002/jcc.540161102 / J. Comput. Chem. by Hobza P. (1995)
  9. {'volume-title': 'Quantum Chem. Symp.', 'year': '1995', 'author': 'Proynov E. I.', 'key': 'jp003883pb00009/jp003883pb00009_1'} / Quantum Chem. Symp. by Proynov E. I. (1995)
  10. 10.1007/BF01421741 / Z. Phys. by London F. (1930)
  11. 10.1080/07391102.1996.10508935 / J. Biomol. Struct. Dyn. by Sponer J. (1996)
  12. 10.1063/1.480732 / J. Chem. Phys. by Boese A. D. (2000)
  13. 10.1021/cr00031a008 / Chem. Rev. by Jeziorski B. (1994)
  14. {'volume-title': 'Molecular Interactions − From van der Waals to Strongly Bound Complexes', 'year': '1997', 'author': 'Szalewicz K.', 'key': 'jp003883pb00014/jp003883pb00014_1'} / Molecular Interactions − From van der Waals to Strongly Bound Complexes by Szalewicz K. (1997)
  15. 10.1063/1.470646 / J. Chem. Phys. by Williams H. L. (1995)
  16. 10.1021/ja00092a046 / J. Am. Chem. Soc. by Malkin V. G. (1994)
  17. 10.1063/1.477267 / J. Chem. Phys. by Hamprecht F. A. (1998)
  18. 10.1063/1.477711 / J. Chem. Phys. by Tozer D. J. (1998)
  19. 10.1063/1.475638 / J. Chem. Phys. by Tozer D. J. (1998)
  20. 10.1063/1.464296 / J. Chem. Phys. by Williams H. L. (1993)
  21. 10.1063/1.475347 / J. Chem. Phys. by Jankowski P. (1998)
  22. 10.1063/1.474795 / J. Chem. Phys. by Mas E. (1997)
  23. 10.1063/1.470309 / J. Chem. Phys. by Williams H. L. (1995)
  24. {'volume-title': 'University of Delaware', 'year': '1995', 'author': 'Williams H. L. Ph.D.', 'key': 'jp003883pb00024/jp003883pb00024_1'} / University of Delaware by Williams H. L. Ph.D. (1995)
  25. 10.1016/0009-2614(96)01078-0 / Chem. Phys. Lett. by Williams H. L. (1996)
  26. 10.1063/1.473556 / J. Chem. Phys. by Korona T. (1997)
  27. 10.1002/qua.560140306 / Int. J. Quantum Chem. by Jeziorski B. (1978)
  28. 10.1002/qua.560320202 / Int. J. Quantum Chem. by Jeziorska M. (1987)
  29. 10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
  30. {'key': 'jp003883pb00030/jp003883pb00030_1', 'first-page': '1376', 'volume-title': 'Encyclopedia of Computational Chemistry', 'volume': '2', 'author': 'Jeziorski B.', 'year': '1998'} / Encyclopedia of Computational Chemistry by Jeziorski B. (1998)
  31. 10.1103/PhysRevA.47.4681 / Phys. Rev. A by Lacks D. J. (1993)
  32. 10.1063/1.1677649 / J. Chem. Phys. by Gordon R. G. (1972)
  33. 10.1063/1.451440 / J. Chem. Phys. by Spackman M. A. (1986)
  34. 10.1002/qua.560130507 / Int. J. Quantum Chem. by Kolos W. (1978)
  35. 10.1002/qua.560200303 / Int. J. Quantum Chem. by Radzio-Andzelm E. (1981)
  36. 10.1016/0009-2614(81)85370-5 / Chem. Phys. Lett. by Radzio-Andzelm E. (1981)
  37. 10.1002/qua.560100208 / Int. J. Quantum Chem. by Jeziorski B. (1976)
  38. 10.1103/PhysRevB.44.4032 / Phys. Rev. B by Rapcewicz K. (1991)
  39. 10.1103/PhysRevLett.76.102 / Phys. Rev. Lett. by Andersson Y. (1995)
  40. 10.1002/qua.560560410 / Int. J. Quantum Chem. by Lundqvist B. I. (1995)
  41. 10.1103/PhysRevLett.76.1780 / Phys. Rev. Lett. by Dobson J. F. (1996)
  42. 10.1103/PhysRev.73.360 / Phys. Rev. by Casimir H. B. G. (1948)
  43. 10.1103/PhysRevLett.80.4153 / Phys. Rev. Lett. by Kohn W. (1998)
  44. 10.1063/1.471115 / J. Chem. Phys. by Stefanovich E. V. (1996)
  45. 10.1016/0009-2614(95)01281-8 / Chem. Phys. Lett. by Wesolowski T. A. (1996)
  46. 10.1063/1.477021 / J. Chem. Phys. by Cioslowski J. (1998)
  47. {'volume-title': 'Modern Quantum Chemistry:\u2009 Introduction to Advanced Electronic Structure Theory', 'year': '1982', 'author': 'Szabo A.', 'key': 'jp003883pb00047/jp003883pb00047_1'} / Modern Quantum Chemistry:  Introduction to Advanced Electronic Structure Theory by Szabo A. (1982)
  48. 10.1103/PhysRevB.18.7165 / Phys. Rev. B by Janak J. F. (1978)
  49. 10.1103/PhysRevLett.51.1884 / Phys. Rev. Lett. by Perdew J. P. (1983)
  50. Gaussian 94, Revision D.2, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, V.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A.; Gaussian, Inc., Pittsburgh, PA, 1995.
  51. Jeziorski, B.; Moszynski, R.; Ratkiewicz, A.; Rybak, S.; Szalewicz, K.; Williams, H. L. InMethods and Techniques in Computational Chemistry,METECC94,B,Medium-Size Systems, Clementi, E., Ed.; STEF:  Cagliari, 1993; p 79. The SAPT suite of codes is also available directly from the authors. For more information contact Krzysztof Szalewicz, Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 or by email at szalewic@udel.edu.
  52. 10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
  53. {'volume': '1974', 'volume-title': 'Quantum Theory of Molecules and Solids', 'author': 'Slater J. C.', 'key': 'jp003883pb00053/jp003883pb00053_1'} / Quantum Theory of Molecules and Solids by Slater J. C.
  54. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
  55. 10.1139/p80-159 / Can. J. Phys. by Vosko S. H. (1980)
  56. 10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
  57. 10.1016/0009-2614(89)87234-3 / Chem. Phys. Lett. by Miehlich B. (1989)
  58. 10.1103/PhysRevB.45.13244 / Phys. Rev. B by Perdew J. P. (1992)
  59. 10.1021/jp980935q / J. Phys. Chem. A by Williams H. L. (1998)
  60. 10.1021/jp991212p / J. Phys. Chem. A by Bukowski R. (1999)
  61. 10.1063/1.456153 / J. Chem. Phys. by Dunning T. H., Jr. (1989)
  62. 10.1063/1.462569 / J. Chem. Phys. by Kendall R. A. (1992)
  63. 10.1063/1.464303 / J. Chem. Phys. by Woon D. E. (1993)
  64. {'volume-title': 'Anisimov', 'year': '2000', 'author': 'Grabo T.', 'key': 'jp003883pb00064/jp003883pb00064_1'} / Anisimov by Grabo T. (2000)
  65. 10.1103/PhysRev.81.385 / Phys. Rev. by Slater J. C. (1951)
  66. 10.1063/1.431382 / J. Chem. Phys. by Williams A. R. (1975)
  67. 10.1103/PhysRevA.52.R4313 / Phys. Rev. A by Levy M. (1995)
Dates
Type When
Created 23 years ago (July 26, 2002, 12:54 a.m.)
Deposited 2 years, 5 months ago (March 5, 2023, 7:34 p.m.)
Indexed 2 weeks, 2 days ago (Aug. 7, 2025, 4:40 p.m.)
Issued 24 years, 7 months ago (Dec. 29, 2000)
Published 24 years, 7 months ago (Dec. 29, 2000)
Published Online 24 years, 7 months ago (Dec. 29, 2000)
Published Print 24 years, 7 months ago (Jan. 1, 2001)
Funders 0

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@article{Williams_2000, title={Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory to Investigate Intermolecular Interactions}, volume={105}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp003883p}, DOI={10.1021/jp003883p}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Williams, Hayes L. and Chabalowski, Cary F.}, year={2000}, month=dec, pages={646–659} }