Uzi Kaldor, D.Sc. Tel Aviv University

February 2010

List of Publications

BOOKS

1. U. Kaldor, editor
   ``Many-Body Methods in Quantum Chemistry''. Springer Verlag, Heidelberg, 1989. 349 pp.

2. U. Kaldor and S. Wilson, editors
   ``Theoretical Chemistry and Physics of Heavy and Superheavy Elements''. Kluwer Academic Publishers, Dordrecht, 2003. 584 pp.

CHAPTERS IN BOOKS

1. A. Klonover and U. Kaldor
   ``Nonempirical Polarization in Low-Energy Electron-Molecule Scattering'', in ``Electron-Molecule and Photon-Molecule Collisions'', ed. T. Rescigno, V. McKoy, and B. Schneider (Plenum, New York, 1979), pp. 123-131.

2. U. Kaldor
   ``Open Shell Coupled Cluster Studies of Atomic and Molecular Systems'', in ``Condensed Matter Theories'', Vol. 3, ed. J. Arponen, R. Bishop, and M. Manninnen (Plenum, NY, 1988), pp. 83-92.

3. U. Kaldor and S. Ben-Shlomo
   ``Direct Calculation of Molecular Transition Energies by the Open Shell Coupled Cluster Method'', in ``The Structure of Small Molecules and Ions'', ed. R. Naaman and Z. Vager (Plenum, NY, 1988), pp. 197-208.

4. U. Kaldor
   ``Applications of the Open Shell Coupled Cluster Method'', in ``Aspects of Many-Body Effects in Molecules and Extended Systems'', ed. D. Mukherjee (Springer Verlag, Heidelberg, 1989), pp. 155-165.

5. U. Kaldor
   ``Atomic and Molecular Applications of the Open Shell Coupled Cluster Method in General Model Spaces'', in ``Condensed Matter Theories'', Vol. 4, ed. J. Keller (Plenum, NY, 1989), pp. 67-75.

6. U. Kaldor
   ``Atomic and Molecular Applications of the Multireference Coupled Cluster Method'', in ``Many-Body Methods in Quantum Chemistry'', ed. U. Kaldor (Springer Verlag, Heidelberg, 1989), pp. 199-213.

7. U. Kaldor
   ``Developments in Multireference Coupled Cluster Applications to Molecular Systems'', in ``Condensed Matter Theories'', Vol. 5, ed. V.C. Aguillera-Navarro (Plenum, NY, 1990), pp. 285-296.

8. U. Kaldor
   ``Multireference Coupled Cluster Approach to Spectroscopic Constants: Molecular Geometries and Harmonic Frequencies'', in ``Applied Many-Body methods in Spectroscopy and Electronic Structure'', ed. D. Mukherjee (Plenum, NY, 1991), pp. 213-232.

9. S. R. Hughes and U. Kaldor
   ``The Fock Space Coupled Cluster Method Extended to Higher Sectors'', in ``Condensed Matter Theories'', Vol. 8, ed. L. Blum (Plenum, NY, 1993), pp. 385-394.

10. U. Kaldor
    ``Relativistic Coupled Cluster Calculations'', in ``Recent progress in Many-Body Theories'', Vol. 4, ed. E. Schachinger, H. Mitter, and M. Sormann, (Plenum, NY, 1995) pp. 135-142.

11. Y. Ishikawa and U. Kaldor
    ``Relativistic Many-Body Calculations on Atoms and Molecules'', in ``Computational Chemistry: Review of Current Trends'', ed. J. Leszczynski, (World Scientific, Singapore, 1996) vol. 1, pp. 1-52.

12. U. Kaldor
    ``Relativistic Coupled Cluster: Theory and Applications'', in ``Recent Advances in Coupled-Cluster Methods'', ed. R. J. Bartlett, (World Scientific, Singapore, 1997), pp. 125-153.

13. U. Kaldor and E. Eliav
    ``High-Accuracy Calculations for Heavy and Super-Heavy Elements''
    Adv. Quantum Chem. 31, 313-336 (1998).

14. U. Kaldor
    ``Atomic and Molecular Applications of the Coupled Cluster Method'', in ``Microscopic Quantum Many-Body Theories and Their Applications'', ed. J. Navarro and A. Polls (Springer, Berlin, 1998), pp. 71-92.

15. U. Kaldor and E. Eliav, ``Energies and Other Properties of Heavy Atoms and Molecules'', in ``Quantum Systems in Chemistry and Physics'', ed. A. Hernández-Laguna, J. Maruani, R. McWeeny, and S. Wilson (Kluwer, Dordrecht, 2000) Vol. 1, pp. 161-176.

16. A. Landau, E. Eliav, and U. Kaldor, ``Intermediate Hamiltonian Fock-space coupled-cluster method'', Adv. Quantum Chem. 39, 171-188 (2001).

17. E. Eliav, A. Landau, and U. Kaldor, ``Relativistic Coupled-Cluster Studies of Negative Ions'', in ``Theoretical Prospects of Negative Ions'', ed. J. Kalcher (Research Signpost, Kerala, India, 2002) pp. 99-115.

18. U. Kaldor, E. Eliav, and A. Landau, ``Relativistic Coupled Cluster Calculations for Heavy and Superheavy Elements'', in ``Reviews of Modern Quantum Chemistry'', ed. K. Sen (World Scientific, Singapore, 2002), pp. 260-292.

19. A. Landau, E. Eliav, and U. Kaldor, ``Intermediate Hamiltonian Fock-Space Coupled Cluster: Method and application'', in ``Recent Progress in Many-Body Theories 11'', ed. R. F. Bishop, T. Brandes, K. A. Gernoth, N. R. Walet, and Y. Xian (World Scientific, Singapore, 2002), pp. 355-364.

20. S. Wilson and U. Kaldor, ``Theoretical Chemistry and Physics of Heavy and Superheavy Elements'', in ``Theoretical Chemistry and Physics of Heavy and Superheavy Elements'', ed. U. Kaldor and S. Wilson (Kluwer Academic Publishers, Dordrecht, 2003), pp. 1-14.

21. S. Wilson and U. Kaldor, ``Basic Elements of Relativistic Quantum Mechanics'', in ``Theoretical Chemistry and Physics of Heavy and Superheavy Elements'', ed. U. Kaldor and S. Wilson (Kluwer Academic Publishers, Dordrecht, 2003), pp. 15-53.

22. U. Kaldor, E. Eliav, and A. Landau, ``Four-Component Electronic Structure Methods for Atoms'', in ``Theoretical Chemistry and Physics of Heavy and Superheavy Elements'', ed. U. Kaldor and S. Wilson (Kluwer Academic Publishers, Dordrecht, 2003), pp. 171-212.

23. U. Kaldor, E. Eliav, and A. Landau, ``Four-Component Relativistic Coupled Cluster -- Method and Applicatons'', in ``Recent Advances in Relativistic Molecular Theory'', ed. K. Hirao and Y. Ishikawa (World Scientific, Singapore, 2004), pp. 283-327.

24. U. Kaldor, E. Eliav, and A. Landau, ``Study of Heavy Elements by Relativistic Fock-Space and Intermediate Hamiltonian Coupled Cluster Methods'', in ``Fundamental World of Quantum Chemistry'', ed. E.J. Brändas and E.S. Kryachko (Kluwer Academic Publishers, Dordrecht, 2004), Vol. III pp. 365-406.

25. U. Kaldor, E. Eliav, and A. Landau, ``Accurate Relativistic Calculations for Many-Electron Atoms'', in ``Relativistic Electronic Structure Theory'', ed. P. Schwerdtfeger (Elsevier, Amsterdam, 2004), vol. 2, pp. 81-119.

26. U. Kaldor, ``Superheavy Elements - Chemistry and Spectroscopy'', in ``Encyclopedia of Computational Chemistry'' (John Wiley and Sons, 2005).

27. E. Eliav and U. Kaldor, ``Four-Component Electronic Structure Methods'', in ``Relativistic Methods for Chemists'', eds. M. Barysz and Y. Ishikawa (Springer, 2010), p. 279-349.

28. E. Eliav and U. Kaldor, ``Relativistic Four-Component Multireference Coupled Cluster Methods: Towards a Covariant Approach'', in ``Recent Progress in Coupled Cluster Methods'': Theory and Applications'', eds. J. Pittner, P. Carsky and J. Paldus (Springer, 2010), p. 113-144.

ARTICLES

1. U. Kaldor and I. Shavitt
   ``LCAO-SCF Computations for Hydrogen Peroxide''
   J. Chem. Phys. 44, 1823-1829 (1966).

2. U. Kaldor and I. Shavitt
   ``LCAO-SCF Computations for Ammonia''
   J. Chem. Phys. 45, 885-895 (1966).

3. U. Kaldor
   ``Localized Orbitals for Ammonia, Ethylene and Acetylene''.
   J. Chem. Phys. 46, 1981-1987 (1967).

4. L.A. Rajbenbach and U. Kaldor
   ``Yield of Scavengeable Hydrogen Atoms, Electrons, and Positive Charges in the Radiolysis of Liquid n-Hexane''.
   J. Chem. Phys. 47, 242-247 (1967).

5. U. Kaldor and I. Shavitt
   ``LCAO-SCF Computations for Ethylene''.
   J. Chem. Phys. 48, 191-202 (1968).

6. U. Kaldor
   ``Calculation of Extended Hartree-Fock Wavefunctions''.
   J. Chem. Phys. 48, 835-837 (1968).

7. U. Kaldor
   ``Extended Hartree-Fock Functions for Atomic Boron''.
   J. Chem. Phys. 49, 6-8 (1968).

8. H.F. Schaefer and U. Kaldor
   ``Calculation of Spin Densities for Light Atoms''.
   J. Chem. Phys. 49, 469-470 (1968).

9. U. Kaldor
   ``Spin Extended Wavefunction for First-Row Atoms''.
   Phys. Rev. 176, 19-24 (1968).

10. U. Kaldor
    ``Spin Extended Wavefunction for Atomic Sodium''.
    Phys. Rev. 176, 7l-73 (1968).

11. U. Kaldor, H.F. Schaefer and F.E.Harris
    ``Spin-Extended and Configuration-Interaction Studies of First-Row Atoms''.
    Int. J. Quantum Chem. Symp. 2, 13-20 (1968).

12. U. Kaldor and F.E. Harris
    ``Spin Optimized Self Consistent Field Wavefunctions''.
    Phys. Rev. 183, 1-7 (1969).

13. U. Kaldor
    ``Spin Optimized Self Consistent Field Function. II. Hyperfine Structure of Atomic Nitrogen''.
    Phys. Rev. A 1, 1586-1592 (1970).

14. U. Kaldor
    ``Spin Optimized Self Consistent Field Function. III. Ground State of Atomic Boron and Carbon''.
    Phys. Rev. A 2, 1267-1274 (1970).

15. B. Kirtman and U. Kaldor
    ``Distinguishable-Electron Method for Electronic Structure Calculation. III. Contact Spin Densities -- the $^2$S and $^2$P States of Atomic Li''.
    Phys. Rev. A 3, 1295-1304 (1971).

16. D. Kunik and U. Kaldor
    ``Hyperfine Pressure Shift of Hydrogen in Helium''.
    J. Chem. Phys. 55, 4127-4131 (1971).

17. S. Mukamel and U. Kaldor
    ``Potential of the A$^1\Sigma^+$ State of He$_2$''.
    Mol. Phys. 22, 1107-1117 (1971).

18. D. Kunik and U. Kaldor
    ``Ground State of He$_2$ by the Spin-Optimized Self Consistent Field Method''.
    J. Chem. Phys. 56, 1741-1745 (1972).

19. U. Kaldor
    ``Hyperfine Structure of Atomic Carbon in the sp$^3$($^5$S) State''.
    Chem. Phys. Letters 14, 124-128 (1972).

20. U. Kaldor
    ``Many-Body Perturbation Theory Calculations with Finite, Bound Basis Sets''.
    Phys. Rev. A 7, 427-434 (1973).

21. U. Kaldor
    ``Stark Effect in the Li Hyperfine Structure''.
    J. Phys. B 6, 71-75 (1973).

22. S. Mukamel and U. Kaldor
    ``Ab Initio Calculations of the He$_2$ X $^1\Sigma^+_g \rightarrow A^1\Sigma^+_u$ Absorption Spectrum''.
    Mol. Phys. 26, 291-295 (1973).

23. U. Kaldor
    ``Many-Body Perturbation Theory Calculations for Excited Molecular States''.
    Phys. Rev. Letters 31, 1338-1340 (1973).

24. U. Kaldor
    ``Many-Body Perturbation Theory Applied to H$_2$''.
    J. Chem. Phys. 62, 4634-4639 (1975).

25. U. Kaldor
    ``Degenerate Many-Body Perturbation Theory: Excited States of H$_2$''.
    J. Chem. Phys. 63, 2l99-2206 (1975).

26. P.S. Stern and U. Kaldor
    ``Many-Body Perturbation Theory Applied to Eight States of BH''.
    J. Chem. Phys. 64, 2002-2009 (1976).

27. U. Kaldor
    ``An Algorithm for Generating Goldstone and Bloch-Brandow Diagrams''.
    J. Comput. Phys. 20, 432-441 (1976).

28. U. Kaldor
    ``Augmented Random Phase Approximation Applied to H$_2$ Excitations''.
    J. Chem. Phys. 64, 4812-4814 (1976).

29. M. Bixon and U. Kaldor
    ``The Intrinsic Viscosity of a Suspension of Nonharmonic Dumbbells''.
    J. Chem. Phys. 66, 5505-5509 (1977).

30. U. Kaldor
    ``A Simple Screened Potential Explaining the Structure of the Periodic Table''.
    Chem. Phys. Letters 49, 384-385 (1977).

31. A. Klonover and U. Kaldor
    ``Ab Initio Calculation of Electron-Molecule Scattering Cross Sections Including Polarization''.
    Chem. Phys. Letters 51, 321-325 (1977).

32. A. Klonover and U. Kaldor
    ``Ab Initio Electron-Molecule Scattering Theory Including Polarization: Elastic Scattering and Rotational Excitation of H$_2$''.
    J. Phys. B 11, 1623-1633 (1978).

33. U. Kaldor
    ``Vibrational Close Coupling in the Discrete Basis Set Theory of Electron-Molecule Scattering''.
    Chem. Phys. Letters 58, 509-512 (1978).

34. A. Klonover and U. Kaldor
    ``Ab Initio Electron-Molecule Scattering Theory Including Polarization: Vibrational and Vibrational - Rotational Excitation of H$_2$''.
    J. Phys. B 12, 323-331 (1979).

35. U. Kaldor
    ``L$^2$ Basis Set Theory of Electron-Molecule Scattering with Vibrational and Rotational Coupling''.
    Phys. Rev. A 19, 105-111 (1979).

36. A. Klonover and U. Kaldor
    ``Zero-Point Vibration in Low-Energy Electron-Molecule Scattering Theory''.
    J. Phys. B 12, L61-66 (1979).

37. G. Hose and U. Kaldor
    ``Diagrammatic Many-Body Perturbation Theory for General Model Spaces''.
    J. Phys. B 12, 3827-3856 (1979).

38. M. Berman and U. Kaldor
    ``Fast Calculation of Excited State Potentials for Rare Gas Diatomic Molecules: Ne$_2$ and Ar$_2$''.
    Chem. Phys. 43, 375-383 (1979).

39. A. Klonover and U. Kaldor
    ``Excitation of H$_2$ Vibrational Levels ($v\leq 4$) by Low-Energy Electron Impact''.
    J. Phys. B 12, 3797-3804 (1979).

40. G. Hose and U. Kaldor
    ``A General Model Space Diagrammatic Peturbation Theory''.
    Physica Scripta 21, 357-362 (1980).

41. U. Shmueli and U. Kaldor
    ``Calculation of Even Moments of the Trigonometic Structure Factor, Methods and Results''.
    Acta Cryst. A 37, 80-84 (1981).

42. M. Berman and U. Kaldor
    ``Electron-Molecule Scattering with Polarization Using the Schwinger Variational Principle''.
    Chem. Phys. Letters 79, 489-493 (1981).

43. G. Hose and U. Kaldor
    ``The Shifted Scheme in the General Model Space Diagrammatic Perturbation Theory''.
    Chem. Phys. 63, 165-174 (1981).

44. M. Berman and U. Kaldor
    ``The Schwinger Variational Method in Electron-Atom and Electron-Molecule Scattering Theory with Polarization''.
    J. Phys. B 14, 3993-4005 (1981).

45. U. Shmueli, U. Kaldor and A.J.C. Wilson
    ``Non-Ideal Distributions and Moments of Intensity''.
    Acta Cryst. A 47 (Suppl.), C-332 (1981).

46. M. Berman, U. Kaldor, J. Shmulovich and S. Yatsiv
    ``Rydberg States and the Observed Spectrum of ArH''.
    Chem. Phys. 63, 165-173 (1981).

47. G. Hose and U. Kaldor
    ``Quasidegenerate Perturbation Theory''.
    J. Phys. Chem. 86, 2133-2140 (1982).

48. U. Shmueli and U. Kaldor
    ``Moments of the Trigonometric Structure Factor''.
    Acta Cryst. A 39, 225-233 (1983).

49. U. Kaldor
    ``General Model Space Perturbation Theory: Excitation and Ionization of N$_2$''.
    J. Chem. Phys. 81, 2406 (1984).

50. G. Hose and U. Kaldor
    ``General Model Space Many-Body Perturbation Theory: The $(2s3p)^{1,3}$P states in the Be Isoelectronic sequence''.
    Phys. Rev. A. 30, 2932 (1984).

51. U. Kaldor
    ``Can Non-Degenerate Many-Body Perturbation Theory be Applied to Quasidegenerate Electronic States?''.
    Int. J. Quantum Chem. 28, 103-108 (1985).

52. A. Haque and U. Kaldor
    ``Open Shell Coupled Cluster Theory Applied to Atomic and Molecular Systems''.
    Chem. Phys. Letters 117, 347-351 (1985).

53. A. Haque and U. Kaldor
    ``Three-Electron Excitation in Open Shell Coupled Cluster Theory''.
    Chem. Phys. Letters 120, 261-265 (1985).

54. A. Haque and U. Kaldor
    ``Open Shell Coupled Cluster Method: Variational and Nonvariational Calculation of Ionization Potentials''.
    Int. J. Quantum Chem. 29, 425-433 (1986).

55. U. Kaldor and A. Haque
    ``Open Shell Coupled Cluster Method: Direct Calculation of Excitation Energies''.
    Chem. Phys. Letters 128, 45-48 (1986).

56. U. Kaldor
    ``Direct Calculation of Excitation Energies by the Coupled Cluster Method: Mg and Ar Atoms''.
    Int. J. Quantum Chem. S20, 445-453 (1986).

57. U. Kaldor
    ``The Open Shell Coupled Cluster Method: Electron Affinities of Li and Na''.
    J. Comput. Chem. 8, 448-454 (1987).

58. U. Kaldor
    ``The Open Shell Coupled Cluster Method: Excitation Energies and Ionization Potentials of H$_2$O''.
    J. Chem. Phys. 87, 467-471 (1987).

59. U. Kaldor
    ``The Open Shell Coupled Cluster Method: Ionization Potentials and Electron Affinities of the Alkali Atoms, Li to Cs''.
    J. Chem. Phys. 87, 4693-4696 (1987).

60. U. Kaldor
    ``The Open Shell Coupled Cluster Method: Effect of Single Excitations on Electronic Transition Energies''.
    J. Chem. Phys. 88, 5248-5249 (1988).

61. S. Ben-Shlomo and U. Kaldor
    ``The Open Shell Coupled Cluster Method in General Model Space: Five States of LiH''.
    J. Chem. Phys. 89, 956-960 (1988).

62. U. Kaldor
    ``Intruder States and Incomplete Model Spaces in Multi-Reference Coupled Cluster Theory: The 2p$^2$ States of Be''.
    Phys. Rev. A 38, 6013-6017 (1988).

63. U. Kaldor, S. Roszak, P. C. Hariharan, and J. J. Kaufman
    ``Multireference Coupled Cluster and Multireference Configuration Interaction Studies of the Potential Surfaces for Protonation of NH$_3$ and Deprotonation of NH$_4$$^+$''.
    J. Chem. Phys. 90, 6395-6401 (1989).

64. U. Kaldor
    ``Li$_2$ Ground and Excited States by the Open shell Coupled Cluster Method''.
    Chem. Phys. 140, 1-6 (1990).

65. S. Berkovic Ben-Shlomo and U. Kaldor
    ``N$_2$ Excitations below 15 eV by the Open Shell Coupled Cluster Method''.
    J. Chem. Phys. 92, 3680-83 (1990).

66. U. Kaldor
    ``The Ground State Geometry of the NO$_3$ Radical''.
    Chem. Phys. Letters 166, 599-602 (1990).

67. U. Kaldor
    ``Harmonic Vibrational Frequencies and Geometry of NO$_2$ and NO$_2$$^-$ by the Multireference Coupled Cluster Method''.
    Chem. Phys. Letters 170, 17-20 (1990).

68. U. Kaldor
    ``Vibrational Frequencies and Geometry of N$_3$ and N$_3$$^-$ by the Coupled Cluster Method''.
    Int. J. Quantum Chem. Symp. 24, 291-295 (1990).

69. U. Kaldor
    ``The Fock Space Coupled Cluster Method: Theory and Application''
    Theor. Chim. Acta 80, 427-440 (1991).

70. U. Kaldor
    ``Na$_2$ Ground and Excited States by the Open Shell Coupled Cluster Method''
    Israel J. Chem. 31, 345-349 (1991).

71. U. Kaldor
    ``Symmetry Breaking in Radicals: NO$_2$, NS$_2$, and NO$_3$''
    Chem. Phys. Letters 185, 131-135 (1991).

72. N. Ben-Horin, H. Sanderovich, U. Kaldor, U. Even, and J. Jortner
    ``An Electrostatic Model for the Energetics of Large Heterocluster Cations''
    J. Phys. Chem. 96, 1569-75 (1992).

73. S. Roszak, U. Kaldor, D. A. Chapman, and J. J. Kaufman
    ``Ab Initio Multireference Configuration Interaction and Coupled Cluster Studies of Potential Surfaces for Proton Transfer in (H$_3$N--H--OH$_2$)$^+$''
    J. Phys. Chem. 96, 2123-29 (1992).

74. E. Ilyabaev and U. Kaldor
    ``Relativistic Coupled Cluster Calculations for Closed Shell Atoms''
    Chem. Phys. Letters 194, 95-98 (1992).

75. S. R. Hughes and U. Kaldor
    ``High Sectors in the Fock Space Coupled Cluster Method''
    Chem. Phys. Letters 194, 99-104 (1992).

76. E. Ilyabaev and U. Kaldor
    ``The Relativistic Open Shell Coupled Cluster Method: Direct Calculation of the Excitation Energies in the Ne Atom''
    J. Chem. Phys. 97, 8455-58 (1992).

77. S. Berkovic and U. Kaldor
    ``Hilbert Space Coupled Cluster Method in an Incomplete Model Space''
    Chem. Phys. Letters 199, 42-46 (1992).

78. E. Ilyabaev and U. Kaldor
    ``Relativistic Coupled Cluster Calculations for Open Shell Atoms''
    Phys. Rev. A 47, 137-142 (1993).

79. S. Berkovic and U. Kaldor
    ``Degeneracy Breaking in the Hilbert Space Coupled Cluster Method''
    J. Chem. Phys. 98, 3090-94 (1993).

80. S. R. Hughes and U. Kaldor
    ``The Coupled Cluster Method with Full Inclusion of Single, Double and Triple Excitations Applied to High Sectors of the Fock Space''
    Chem. Phys. Letters 204, 339-343 (1993).

81. E. Ilyabaev and U. Kaldor
    ``Ground and Excited States of K$_2$ and K$_2^+$ by the Open-Shell Coupled Cluster Method''
    J. Chem. Phys. 98, 7126-32 (1993).

82. S. R. Hughes and U. Kaldor
    ``The Fock Space Coupled Cluster Method: The (1,2) Sector''
    Phys. Rev. A 47, 4705-12 (1993).

83. S. R. Hughes and U. Kaldor
    ``On the Easy Generation of the Diagrams Representing the Coupled-Cluster Method''
    J. Comp. Phys. 109, 108-114 (1993).

84. G. Markovich, O. Cheshnovsky, and U. Kaldor
    ``Charge Transfer Excitations in the Photoelectron Spectrum of Cl$^-$NH$_3$: Experiment and Calculation''
    J. Chem. Phys. 99, 6201-6204 (1993).

85. S. R. Hughes and U. Kaldor
    ``The Fock Space Coupled Cluster Method: Electron Affinities of the Five Halogen Elements with Consideration of Triple Excitations''
    J. Chem. Phys. 99, 6773-6776 (1993).

86. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``The Open Shell Relativistic Coupled Cluster Method with Dirac-Fock-Breit Wave Functions: Energies of the Gold Atom and its Cation''
    Phys. Rev. A 49, 1724-1730 (1994).

87. E. Eliav (Ilyabaev), U. Kaldor, and Y. Ishikawa
    ``Relativistic Coupled Cluster Method Based on Dirac-Coulomb-Breit Wave Functions: Ground-State Energies of Atoms with Two to Five Electrons''
    Chem. Phys. Letters 222, 82-88 (1994).

88. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``Ionization Potentials and Excitation Energies of the Alkali-Metal Atoms by the Relativistic Coupled Cluster Method''
    Phys. Rev. A 50, 1121-28 (1994).

89. U. Kaldor
    ``The Cl$^-$NH$_3$, Cl$^-$H$_2$O, F$^-$NH$_3$ and F$^-$H$_2$O Clusters and Their Photoelectron Spectra''
    Z. Phys. D 31, 279-83 (1994).

90. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``Relativistic Coupled Cluster Theory Based on the No-Pair Dirac-Coulomb-Breit Hamiltonian: Relativistic Pair Correlation Energies of the Xe Atom''
    Int. J. Quantum Chem. Symp. 28, 205-214 (1994).

91. U. Kaldor and B. A. Hess
    ``Relativistic All-Electron Coupled-Cluster Calculations on the Gold Atom and Gold Hydride in the Framework of the Douglas-Kroll Transformation''
    Chem. Phys. Letters 230, 1-7 (1994).

92. E. Eliav, U. Kaldor, P. Schwerdtfeger, B. A. Hess, and Y. Ishikawa
    ``The Ground State Electron Configuration of Element 111''
    Phys. Rev. Letters 73, 3203-6 (1994).

93. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``The Ground State Electron Configuration of Rutherfordium -- Role of Dynamic Correlation''
    Phys. Rev. Letters 74, 1079-82 (1995).

94. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``The Relativistic Coupled Cluster Method: Intrashell Excitations in the $f^2$ shells of Pr$^{3+}$ and U$^{4+}$''
    Phys. Rev. A 51, 225-230 (1995).

95. S. R. Hughes and U. Kaldor
    ``The Coupled Cluster Method in High Sectors of the Fock Space''
    Int. J. Quantum Chem. 55, 127-133 (1995).

96. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``Transition Energies of Ytterbium, Lutetium and Lawrencium by the Relativistic Coupled Cluster Method''
    Phys. Rev. A 52, 291-6 (1995).

97. E. Eliav, U. Kaldor, and Y. Ishikawa
    ``Transition Energies of Mercury and eka-Mercury (Element 112) by the Relativistic Coupled Cluster Method''
    Phys. Rev. A 52, 2765-69 (1995).

98. U. Kaldor
    ``Molecular Potentials and Relativistic Effects''
    Few-Body Systems Suppl. 8, 68-79 (1995).

99. E. Eliav and U. Kaldor
    ``The Relativistic Four-Component Coupled-Cluster Method for Molecules: Spectroscopic Constants of SnH$_4$''
    Chem. Phys. Letters 248, 405-408 (1996).

100. M. Seth, P. Schwerdtfeger, M. Dolg, K. Fægri, B. A. Hess, and U. Kaldor
     ``Large Relativistic Effects in Molecular properties of the Hydride of Superheavy Element 111''
     Chem. Phys. Letters 250, 461-4 (1996).

101. E. Eliav, U. Kaldor, and Y. Ishikawa
     ``Transition Energies of Barium and Radium by the Relativistic Coupled Cluster Method''
     Phys. Rev. A 53, 3050-56 (1996).

102. U. Kaldor and R. M. Pitzer
     ``Isaiah Shavitt''
     J. Phys. Chem. 100, 6017-22 (1996).

103. E. Eliav, U. Kaldor, Y. Ishikawa, M. Seth, and P. Pyykkö
     ``Calculated Energy Levels of Thallium and Ekathallium (Element 113)''
     Phys. Rev. A 53, 3926-33 (1996).

104. E. Eliav, U. Kaldor, Y. Ishikawa, and P. Pyykkö
     ``Element 118: the First Rare Gas with an Electron Affinity''
     Phys. Rev. Letters 77, 5350-52 (1996).

105. E. Eliav, Y. Ishikawa, P. Pyykkö, and U. Kaldor
     ``Electron Affinities of Boron, Aluminum, Gallium, Indium, and Thallium''
     Phys. Rev. A 56, 4532-36 (1997).

106. E. Eliav, U. Kaldor, and B. A. Hess
     ``The Relativistic Fock-Space Coupled-Cluster Method for Molecules: CdH and Its Ions''
     J. Chem. Phys. 108, 3409-3416 (1998).

107. E. Eliav, U. Kaldor, and Y. Ishikawa
     ``The Relativistic Coupled-Cluster Method: Transition Energies of Bismuth and Eka-Bismuth''
     Mol. Phys. 94, 181-187 (1998).

108. E. Eliav, S. Shmuliyan, U. Kaldor, and Y. Ishikawa
     ``Transition Energies of Lanthanum, Actinium, and eka-Actinium (Element 121)''
     J. Chem. Phys. 109, 3954-58 (1998).

109. M. Roeselová, G. Jacoby, U. Kaldor, and P. Jungwirth
     ``Relaxation of Solvated Chlorine Anion in Small Water Clusters upon Electron Photodetachment: The Three Lowest Potential Energy Surfaces of the Cl...H$_2$O Complex''
     Chem. Phys. Lett. 293, 309-17 (1998).

110. A. Landau, E. Eliav, and U. Kaldor
     ``Intermediate Hamiltonian Fock-Space Coupled-Cluster Method''
     Chem. Phys. Lett. 313, 399-403 (1999).

111. D. Sundholm, M. Tokman, P. Pyykkö, E. Eliav, and U. Kaldor
     ``Ab Initio Calculations of the Ground State Electron Affinities of Gallium and Indium''
     J. Phys. B. 32, 5853-59 (1999).

112. B. A. Hess and U. Kaldor
     ``Relativistic All-Electron Coupled-Cluster Calculations on Au$_2$ in the Framework of the Douglas-Kroll Transformation''
     J. Chem. Phys. 112, 1809-13 (2000).

113. N. S. Mosyagin, E. Eliav, A. V. Titov, and U. Kaldor
     ``Comparison of Relativistic Effective Core Potential and All-Electron Dirac-Coulomb Calculations of Mercury Transition Elements by the Relativistic Coupled-Cluster Method''
     J. Phys. B. 33, 667-676 (2000).

114. U. Kaldor
     ``Multireference Many-Body Methods''
     Theor. Chem. Acc. 103, 276-277 (2000).

115. M. Roeselovà, U. Kaldor, and P. Jungwirth
     ``Ultrafast Dynamics of Chlorine-Water and Bromine-Water Radical Complexes Following Electron Photodetachment in Their Anionic Precursors''
     J. Phys. Chem. A 104, 6523-31 (2000).

116. T. A. Isaev, N. S. Mosyagin, M. G. Kozlov, A. V. Titov, E. Eliav, and U. Kaldor
     ``Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb$^{2+}$''
     J. Phys. B. 33, 5139-49 (2000).

117. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Intermediate Hamiltonian Fock-Space Coupled-Cluster Method: Excitation Energies of Barium and Radium''
     J. Chem. Phys. 113, 9905-10 (2000).

118. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Electronic Structure of Eka-Lead (Element 114) Compared with Lead''
     J. Chem. Phys. 114, 2977-80 (2001).

119. N. S. Mosyagin, E. Eliav, and U. Kaldor
     ``Convergence Improvement for Coupled Cluster Calculations''
     J. Phys. B 34, 339-343 (2001).

120. N. S. Mosyagin, A. V. Titov, E. Eliav, and U. Kaldor
     ``Generalized Relativistic Effective Core Potentials and Relativistic Coupled Cluster Calculations of the Spectroscopic Constants for the HgH Molecule and Its Cation''
     J. Chem. Phys. 115, 2007-13 (2001).

121. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Benchmark Calculations of Electron Affinities of the Alkali Atoms Sodium to Eka-Francium (element 119)''
     J. Chem. Phys. 115, 2389-92 (2001).

122. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Intermediate Hamiltonian Fock-Space Coupled-Cluster Method in the One-Hole One-Particle Sector: Excitation Energies of Xenon and Radon''
     J. Chem. Phys. 115, 6862-65 (2001).

123. L. Visscher, E. Eliav, and U. Kaldor
     ``Formulation and Implementation of the Relativistic Fock-Space Coupled Cluster Method for Molecules''
     J. Chem. Phys. 115, 9720-26 (2001).

124. A. N. Petrov, N. S. Mosyagin, T. A. Isaev, A. V. Titov, V. F. Ezhov, E. Eliav, and U. Kaldor
     ``Calculation of $P,T$-odd effects in $^{205}$TlF Including Electron Correlation''
     Phys. Rev. Lett. 88, 073001 1-4 (2002).

125. E. Eliav, A Landau, Y. Ishikawa, and U. Kaldor
     ``Electronic Structure of Eka-Thorium (Element 122) Compared with Thorium''
     J. Phys. B 35, 1693-1700 (2002).

126. A. Landau, E. Eliav, L. Visscher, and U. Kaldor
     ``Potential Functions of Al$_2$ by the Relativistic Fock-space Coupled Cluster Method''
     Int. J. Mol. Sci. 3, 498-507 (2002).

127. I. Goidenko, L. Labzowsky, E. Eliav, U. Kaldor, and P. Pyykkö
     ``QED Corrections to the Binding Energy of the Eka-Radon (Z=118) Negative Ion''
     Phys. Rev. A 67, 020102(R)1-3 (2003).

128. A. Landau, E. Eliav, and U. Kaldor
     ``Intermediate Hamiltonian Fock-Space Coupled Cluster: Method and Application''
     Int. J. Modern Phys. B, 17, 5535-45 (2003).

129. T. A. Isaev, A. N. Petrov, N. S. Mosyagin, A. V. Titov, E. Eliav, and U. Kaldor
     ``In search of the electron dipole moment: Ab initio calculations on $^{207}$PbO excited states''
     Phys. Rev. A 69, 030501(R)1-4 (2004).

130. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach''
     J. Chem. Phys. 121, 6634-39 (2004).

131. E. Eliav, M. J. Vilkas, Y. Ishikawa, and U. Kaldor
     ``Ionization Potentials of Alkali Atoms: Towards meV Accuracy''
     Chem. Phys. 311, 163-168 (2005).

132. E. Eliav, M. J. Vilkas, Y. Ishikawa, and U. Kaldor
     ``Extrapolated Intermediate Hamiltonian Coupled Cluster Approach:
     Theory and Pilot Application to Electron Affinities of Alkali Atoms''
     J. Chem. Phys. 122, 224113 1-5 (2005).

133. T. Koren, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Intermediate Hamiltonian Coupled Cluster Methods: meV Accuracy for Alkaline Earth Transition Energies''
     J. Mol. Struct. (Theochem) 768, 127-32 (2006).

134. A. Borschevsky, E. Eliav, Y. Ishikawa, and U. Kaldor
     ``Atomic Transition Energies and the Variation of the Fine-Structure Constant $\alpha$"
     Phys. Rev. A 74, 062505 1-6 (2006).

135. A. Borschevsky, E. Eliav, M. J. Vilkas, Y. Ishikawa, and U. Kaldor
     ``Transition Energies of Atomic Lawrencium''
     Eur. Phys. J D 45, 115-9 (2007).

136. H. Yakobi, E. Eliav, L. Visscher, and U. Kaldor
     ``High-Accuracy Calculation of Nuclear Quadrupole Moments of Atomic Halogens''
     J. Chem. Phys. 126, 054301 1-4 (2007).

137. A. Borschevsky, E. Eliav, M. J. Vilkas, Y. Ishikawa, and U. Kaldor
     ``Predicted Spectrum of Atomic Nobelium''
     Phys. Rev. A 75, 042514 1-6 (2007).

138. H. Yakobi, E. Eliav, and U. Kaldor
     ``Nuclear Quadrupole Moment of $^{197}$Au from high-accuracy Atomic Calculations''
     J. Chem. Phys. 126, 184305 1-4 (2007).

139. I. Infante, E. Eliav, M. J. Vilkas, Y. Ishikawa, U. Kaldor, and L. Visscher
     ``Fock Space Coupled Cluster study on the electronic structure of the UO$_2$, UO$_2^+$, U$^{4+}$ and U$^{5+}$ species''
     J. Chem. Phys. 127, 124308 1-12 (2007).

140. V. Pershina, A. Borschevsky, E. Eliav, and U. Kaldor
     ``Prediction of the behavior of elements 112 and 114 on inert surfaces from ab initio Dirac-Coulomb atomic calculations''
     J. Chem. Phys. 128, 024707 (2008).

141. D. Figgen, A. Wedig, H. Stoll, M. Dolg, E. Eliav, and U. Kaldor
     ``On the Performance of Two-Component Energy-Consistent Pseudopotentials in Atomic Fock-Space Coupled Cluster Calculations''
     J. Chem. Phys. 128, 024106 (2008).

142. V. Pershina, A. Borschevsky, E. Eliav, and U. Kaldor
     ``Adsorption of Inert Gases, Including Element 118, on Noble Metal and Inert Surfaces from ab initio Dirac-Coulomb Calculations''
     J. Chem. Phys. 129, 144106 (2008).

143. V. Pershina, A. Borschevsky, E. Eliav, and U. Kaldor
     ``Prediction of Atomic Properties of Element 113 and its Adsorption on Inert Surfaces from ab initio Dirac-Coulomb Calculations''
     J. Phys. Chem. 112, 13712-6 (2008).

144. H. Yakobi, E. Eliav, and U. Kaldor
     ``The nuclear Quadrupole Moment of $^{69}$Ga and $^{115}$In''
     Can. J. Chem. 87, 802-805 (2009).

145. E. Eliav, A. Borschevsky, K. R. Shamasundar, S. Pal, and U. Kaldor
     ``Intermediate Hamiltonian Hilbert Space Coupled Cluster Method: Theory and Pilot Application``
     Intern. J. Quantum Chem. 109, 2909-15 (2009).

146. A. Borschevsky, V. Pershina, E. Eliav, and U. Kaldor
     ``Electron Affinity of Element 114, with comparison to Sn and Pb''
     Chem. Phys. Lett. 480, 49 (2009).