Crossref book-chapter
Springer Netherlands
Modem Techniques in Computational Chemistry: MOTECC-91 (297)
Bibliography

Dupuis, M., & Maluendes, S. A. (1991). HONDO: A General Atomic and Molecular Electronic Structure System. Modem Techniques in Computational Chemistry: MOTECC-91, 469–534.

Authors 2
  1. M. Dupuis (first)
  2. S. A. Maluendes (additional)
References 75 Referenced 8
  1. M. Born and J.R. Oppenheimer, Ann. Physik 84, 457 (1927). (10.1002/andp.19273892002) / Ann. Physik by M Born (1927)
  2. M. Dupuis, J. Rys, H.F. King, J. Chem. Phys. 65, 111 (1976). (10.1063/1.432807) / J. Chem. Phys. by M Dupuis (1976)
  3. W. Pauli, Z. Physik 31, 765 (1925). (10.1007/BF02980631)
  4. L. Pauling and E.B. Wilson, Introduction to Quantum Mechanics, McGraw-Hill, New York (1935). / Introduction to Quantum Mechanics by L Pauling (1935)
  5. C.C.J. Roothaan, Rev. Mod. Phys. 23, 69 (1951); G.G. Hall, Proc. Roy. Soc. (London), A205, 541 (1951). (10.1103/RevModPhys.23.69) / Rev. Mod. Phys. by CCJ Roothaan (1951)
  6. R.C. Raffmetti, Chem. Phys. Lett. 20, 335 (1973). (10.1016/0009-2614(73)80060-0) / Chem. Phys. Lett. by RC Raffmetti (1973)
  7. M. Dupuis and H.F. King, Int. J. Quantum Chem., 11, 613 (1976). (10.1002/qua.560110408) / Int. J. Quantum Chem. by M Dupuis (1976)
  8. T. Takada, M. Dupuis, and H.F. King, J. Chem. Phys. 75, 332 (1981). (10.1063/1.441785) / J. Chem. Phys. by T Takada (1981)
  9. T. Takada, M. Dupuis, and H. F. King, J. Comp. Chem. 4, 234 (1983). (10.1002/jcc.540040214) / J. Comp. Chem. by T Takada (1983)
  10. T.P. Hamilton and P. Pulay, J. Chem. Phys. 84, 5728 (1986). (10.1063/1.449880) / J. Chem. Phys. by TP Hamilton (1986)
  11. MELDF, L. McMurchie, S.T. Elbert, S. Langhoff, E.R. Davidson, and D. Feller, Indiana University, Bloomington, Indiana.
  12. GAUSSIAN-70, W.J. Hehre, W.A. Lathan, M.D. Newton, R. Ditchfield, and J.A. Pople, Program no.236, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana.
  13. V.R. Saunders and H.I. Hillier, Int. J. Quantum Chem. 7, 699 (1973). (10.1002/qua.560070407) / Int. J. Quantum Chem. by VR Saunders (1973)
  14. J. Almlof, K. Faegri, K. Korsell, J. Comput. Chem. 3, 385 (1982). (10.1002/jcc.540030314) / J. Comput. Chem. by J Almlof (1982)
  15. J.A. Pople and R.K. Nesbet, J. Chem. Phys. 22, 571 (1954). (10.1063/1.1740120) / J. Chem. Phys. by JA Pople (1954)
  16. E.R. Davidson, Chem. Phys. Lett. 21, 565 (1973). (10.1016/0009-2614(73)80309-4) / Chem. Phys. Lett. by ER Davidson (1973)
  17. F. Bobrowicz, and W.A. Goddard, III, in Modern Theoretical Chemistry, Plenum, New York, 1977. / Modern Theoretical Chemistry by F Bobrowicz (1977)
  18. W.J. Hunt, P.J. Hay, and W.A. Goddard, III, J. Chem. Phys. 57, 738 (1972). (10.1063/1.1678308) / J. Chem. Phys. by WJ Hunt (1972)
  19. I. Shavitt, Int. J. Quantum Chem. S11, 131 (1977); S12, 5 (1978). / Int. J. Quantum Chem. by I Shavitt (1977)
  20. B.R. Brooks, W.D. Laidig, P. Saxe, J.D. Goddard, Y. Yamaguchi, and H.F. Schaefer, III, J. Chem. Phys. 72, 4652 (1980). (10.1063/1.439707) / J. Chem. Phys. by BR Brooks (1980)
  21. E.R. Davidson, J. Comp. Phys. 17, 87 (1975). (10.1016/0021-9991(75)90065-0) / J. Comp. Phys. by ER Davidson (1975)
  22. B. Liu, in Proceedings of Workshop on “Numerical Algorithms in Chemistry: Algebraic Methods,” LBL-8158, Lawrence Berkeley Laboratory, University of California, Berkeley, 1978. / Numerical Algorithms in Chemistry: Algebraic Methods by B Liu (1978)
  23. D.R. Yarkony, Chem. Phys. Lett. 77, 634 (1981). (10.1016/0009-2614(81)85223-2) / Chem. Phys. Lett. by DR Yarkony (1981)
  24. B. Levy, Chem. Phys. Lett. 18, 59 (1973). (10.1016/0009-2614(73)80338-0) / Chem. Phys. Lett. by B Levy (1973)
  25. B.O. Roos, P.R. Taylor, and P.E.M. Siegbahn, Chem. Phys. 48, 157 (1980). (10.1016/0301-0104(80)80045-0) / Chem. Phys. by BO Roos (1980)
  26. B.H. Lengsfield, III and B. Liu, J. Chem. Phys. 75, 478 (1981). (10.1063/1.441840) / J. Chem. Phys. by BH Lengsfield III (1981)
  27. J.A. Pople, J.S. Binkley, and R. Seeger, Int. J. Quantum Chem. S10, 1 (1976). / Int. J. Quantum Chem. by JA Pople (1976)
  28. J.A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem. S11, 149 (1977). / Int. J. Quantum Chem. by JA Pople (1977)
  29. R. Krishnan and J.A. Pople, Int. J. Quantum Chem. S14, 91 (1978). (10.1002/qua.560140109) / Int. J. Quantum Chem. by R Krishnan (1978)
  30. R. Krishnan, M.J. Frisch, and J.A. Pople, J. Chem. Phys. 72, 4244 (1980). (10.1063/1.439657) / J. Chem. Phys. by R Krishnan (1980)
  31. C. Moller and M.S. Plesset, Phys. Rev. 46, 618 (1934). (10.1103/PhysRev.46.618) / Phys. Rev. by C Moller (1934)
  32. R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955) (10.1063/1.1740588) / J. Chem. Phys. by RS Mulliken (1955)
  33. D. Neumann, and J.W. Moskowitz, J. Chem. Phys. 49, 2056 (1968). (10.1063/1.1670367) / J. Chem. Phys. by D Neumann (1968)
  34. C.E. Dykstra, and P. Jasien, Chem. Phys. Lett. 109, 388 (1984). (10.1016/0009-2614(84)85607-9) / Chem. Phys. Lett. by CE Dykstra (1984)
  35. H.O. Villar and M. Dupuis, Chem. Phys. Lett. 142, 59 (1987). (10.1016/0009-2614(87)87250-0) / Chem. Phys. Lett. by HO Villar (1987)
  36. G.J.B. Hurst, M. Dupuis, and E. Clementi, J. Chem. Phys., 89, 385 (1988). (10.1063/1.455480) / J. Chem. Phys. by GJB Hurst (1988)
  37. A.D. Buckingham, Adv. Chem. Phys. 12, 107 (1967). (10.1002/9780470143582.ch2) / Adv. Chem. Phys. by AD Buckingham (1967)
  38. H. Sekino and R.J. Bartlett, J. Chem. Phys. 85, 976 (1986). (10.1063/1.451255) / J. Chem. Phys. by H Sekino (1986)
  39. S.P. Karna and M. Dupuis, J. Comput. Chem., in press.
  40. See for example, A. Szabo and N.S. Ostlund, Modern Quantum Chemistry, McGraw-Hill, New York (1989). / Modern Quantum Chemistry by A Szabo (1989)
  41. D. Spangler, I.H. Williams and G. Maggiora, J. Comput. Chem. 4, 524 (1983). (10.1002/jcc.540040411) / J. Comput. Chem. by D Spangler (1983)
  42. A. Cerjan and W. Miller, J. Chem. Phys. 75, 2800 (1981). (10.1063/1.442352) / J. Chem. Phys. by A Cerjan (1981)
  43. P. Pulay, Mol. Phys. 17, 197 (1969); 18, 473 (1970), 21, 329 (1971). (10.1080/00268976900100941) / Mol. Phys. by P Pulay (1969)
  44. J.A. Pople, R. Krishnan, H.B. Schlegel, and J.S. Binkley, Int. J. Quantum Chem., S13, 225 (1979). / Int. J. Quantum Chem. by JA Pople (1979)
  45. A. Komomicki and J.W. Mclver, Jr., J. Chem. Phys. 70, 2014 (1979). (10.1063/1.437627) / J. Chem. Phys. by A Komomicki (1979)
  46. M. Schmid, M. Gordon and M. Dupuis, J. Chem. Phys. 66, 2153 (1977); Int. J. Quantum Chem. S13, 225 (1979). (10.1063/1.434152) / J. Chem. Phys. by M Schmid (1977)
  47. W.H. Miller, N.C. Handy, and J.E. Adams, J. Chem. Phys. 72, 99 (1980). (10.1063/1.438959) / J. Chem. Phys. by WH Miller (1980)
  48. S.A. Maluendes and M. Dupuis, J. Chem. Phys. 93, 5902 (1990). (10.1063/1.459500) / J. Chem. Phys. by SA Maluendes (1990)
  49. L. D. Landau, Phys. Z. Sowjetunion 1, 88 (1932); 2, 46 (1932); C. Zener, Proc. R. Soc. London, Ser. A 137, 696 (1932); 140, 660 (1933). / Phys. Z. Sowjetunion by LD Landau (1932)
  50. 5. A. Farazdel, M. Dupuis, E. Clementi and A. Aviram, IBM Technical Report KGN-200, September 21, 1989
  51. 6. J. Am. Chem. Soc. 112, 4206 (1990). (10.1021/ja00167a016)
  52. J. Franck, Trans. Faraday Soc. 21, 536 (1925); E. U. Condon, Phys. Rev. 32, 858 (1928). (10.1039/tf9262100536) / Trans. Faraday Soc. by J Franck (1925)
  53. A. Farazdel and M. Dupuis, IBM Technical Report KGN-214, April 19, 1990; J. Comput. Chem., in press.
  54. R. A. Marcus, J. Chem. Phys. 24, 966 (1956); Can. J. Chem. 37, 155 (1959); Discuss. Faraday Soc. 29, 21 (1960); N. S. Hush, Trans. Faraday Soc. 57, 155 (1961); R. A. Marcus, J. Ann. Rev. Phys. Chem. 15, 155 (1964); J. Chem. Phys. 43, 679 (1965); Electrochim. Acta. 13, 995 (1968); E. Waisman, G. Worry, and R. A. Marcus, J. Electroanal. Chem. 82, 9 (1977). (10.1063/1.1742723) / J. Chem. Phys. by RA Marcus (1956)
  55. B. S. Brunschwig, J. Logan, M. D. Newton, and N. Sutin, J. Comput. Chem. 102, 5798 (1980). / J. Comput. Chem. by BS Brunschwig (1980)
  56. S. P. Dolin, E. D. German, and R. R. Dogonadze, J. Chem. Soc. Faraday Trans. 2 73, 648 (1977); N. R. Kestner, J. Logan, and J. Jortner, J. Phys. Chem. 78, 2148 (1974); M. D. Newton, Int. J. Quantum Chem., Quantum Chem. Symp. 14, 363 (1980). (10.1039/f19777300648) / J. Chem. Soc. Faraday Trans. 2 by SP Dolin (1977)
  57. J. Ulstrup, Charge Transfer Processes in Condensed Media; Springer-Verlag, New York (1979). (10.1007/978-3-642-93116-1) / Charge Transfer Processes in Condensed Media by J Ulstrup (1979)
  58. H. F. King, R. E. Stanton, H. Kim, R. E. Wyatt, and R. G. Parr, J. Chem. Phys. 47 1936 (1967). (10.1063/1.1712221) / J. Chem. Phys. by HF King (1967)
  59. L.R. Kahn, P. Baybutt, and D.G. Truhlar, J. Chem. Phys. 65, 3826 (1976). (10.1063/1.432900) / J. Chem. Phys. by LR Kahn (1976)
  60. W.J. Stevens, H. Basch, and M. Krauss, J. Chem. Phys. 81, 6026 (1984). (10.1063/1.447604) / J. Chem. Phys. by WJ Stevens (1984)
  61. GRADSCF, A. Komornicki, Polyatomics Research Institute, Mountain View, California.
  62. P. Carsky, B.A. Hess, Jr., and L.S. Schaad, J. Comp. Chem. 5, 280 (1984). (10.1002/jcc.540050312) / J. Comp. Chem. by P Carsky (1984)
  63. D. Spangler, J.J. Wendoloski, M. Dupuis, M.M.L. Chen, and H.F. Schaefer, III, J. Comput. Chem. 103, 3985 (1981). / J. Comput. Chem. by D Spangler (1981)
  64. M. Dupuis and J.J. Wendoloski, J. Chem. Phys. 80, 5696 (1984). (10.1063/1.446638) / J. Chem. Phys. by M Dupuis (1984)
  65. L.M. Cheung, K.R. Sundberg, and K. Ruedenberg, Int. J. Quantum Chem. 16, 1103 (1979). (10.1002/qua.560160512) / Int. J. Quantum Chem. by LM Cheung (1979)
  66. T. Takada and M. Dupuis, J. Comput. Chem. 105, 1713 (1983). / J. Comput. Chem. by T Takada (1983)
  67. M. Dupuis, J.J. Wendoloski, and W.A. Lester, Jr., J. Chem. Phys. 76, 488 (1982). (10.1063/1.442749) / J. Chem. Phys. by M Dupuis (1982)
  68. M. Dupuis, G. Fitzgerald, B. Hammond, W.A. Lester, Jr., and H.F. Schaefer, III, J. Chem. Phys. 84, 2691 (1986). (10.1063/1.450342) / J. Chem. Phys. by M Dupuis (1986)
  69. M. Dupuis, W.A. Lester, Jr., B.H. Lengsfield, III, and B. Liu, J. Chem. Phys. 79, 6167 (1983). (10.1063/1.445799) / J. Chem. Phys. by M Dupuis (1983)
  70. M. Dupuis and W.A. Lester, Jr., Theor. Chim. Acta 71, 255 (1971). (10.1007/BF00529097) / Theor. Chim. Acta by M Dupuis (1971)
  71. S.P. Kama, P.N. Prasad, and M. Dupuis, J. Chem. Phys. 94, 1171 (1990). / J. Chem. Phys. by SP Kama (1990)
  72. E. Perrin, P.N. Prasad, P. Mougenot, and M. Dupuis, J. Chem. Phys. 91, 4728 (1989). (10.1063/1.456761) / J. Chem. Phys. by E Perrin (1989)
  73. S.P. Karna and M. Dupuis, Chem. Phys. Lett. 171, 201 (1990). (10.1016/0009-2614(90)85227-4) / Chem. Phys. Lett. by SP Karna (1990)
  74. C. Daniel and M. Dupuis, Chem. Phys. Lett. 171, 209 (1990). (10.1016/0009-2614(90)85228-5) / Chem. Phys. Lett. by C Daniel (1990)
  75. Energy associated with changes in nuclear configuration of a molecule upon the transfer of the electronic charge from the “donor” site of the molecule to the “acceptor” site of the same molecule.
Dates
Type When
Created 13 years, 10 months ago (Oct. 21, 2011, 2:37 p.m.)
Deposited 4 years, 8 months ago (Dec. 4, 2020, 7:55 a.m.)
Indexed 3 weeks, 6 days ago (Aug. 2, 2025, 12:46 a.m.)
Issued 34 years, 7 months ago (Jan. 1, 1991)
Published 34 years, 7 months ago (Jan. 1, 1991)
Published Print 34 years, 7 months ago (Jan. 1, 1991)
Funders 0

None

@inbook{Dupuis_1991, title={HONDO: A General Atomic and Molecular Electronic Structure System}, ISBN={9789401130325}, url={http://dx.doi.org/10.1007/978-94-011-3032-5_12}, DOI={10.1007/978-94-011-3032-5_12}, booktitle={Modem Techniques in Computational Chemistry: MOTECC-91}, publisher={Springer Netherlands}, author={Dupuis, M. and Maluendes, S. A.}, year={1991}, pages={469–534} }