All Stories

  1. Quantum uncertainties of the confined Harmonic Oscillator in position, momentum and phase-space

    Article • Annalen der Physik, October 2014, Wiley

    Dr Robin P Sagar

  2. Wave function symmetry, symmetry holes, interaction and statistical correlation in the Moshinsky atom

    Article • Physica A Statistical Mechanics and its Applications, February 2014, Elsevier

    Dr Robin P Sagar

  3. Phase-Space Position-Momentum Correlation and Potentials

    Article • Entropy, April 2013, MDPI AG

    Dr Robin P Sagar

  4. Statistical correlation between atomic electron pairs

    Article • Chemical Physics Letters, October 2011, Elsevier

    Dr Robin P Sagar

  5. SHANNON ENTROPY OF THE WIGNER FUNCTION AND POSITION-MOMENTUM CORRELATION IN MODEL SYSTEMS

    Article • International Journal of Quantum Information, October 2010, World Scientific Pub Co Pte Lt

    Dr Robin P Sagar

  6. Electron pair density information measures in atomic systems

    Article • International Journal of Quantum Chemistry, January 2010, Wiley

    Dr Robin P Sagar

  7. Conditional entropies and position–momentum correlations in atomic systems

    Article • Molecular Physics, October 2009, Taylor & Francis

    Dr Robin P Sagar

  8. Validity of the mass-velocity term in the Breit-Pauli hamiltonian

    Article • International Journal of Quantum Chemistry, June 2009, Wiley

    Dr Robin P Sagar

  9. Relative entropy and atomic structure

    Article • Journal of Molecular Structure THEOCHEM, May 2008, Elsevier

    Dr Robin P Sagar

  10. Shannon entropies of atomic structure factors, off-diagonal order and radial correlation

    Article • Molecular Physics, May 2007, Taylor & Francis

    Dr Robin P Sagar

  11. Local correlation measures and atomic shell structure

    Article • Chemical Physics Letters, April 2007, Elsevier

    Dr Robin P Sagar

  12. Mutual information and electron correlation in momentum space

    Article • The Journal of Chemical Physics, April 2006, American Institute of Physics

    Dr Robin P Sagar

  13. Mutual information and correlation measures in atomic systems

    Article • The Journal of Chemical Physics, July 2005, American Institute of Physics

    Dr Robin P Sagar

  14. Local correlation measures in atomic systems

    Article • The Journal of Chemical Physics, February 2005, American Institute of Physics

    Dr Robin P Sagar

  15. Information uncertainty-type inequalities in atomic systems

    Article • The Journal of Chemical Physics, October 2003, American Institute of Physics

    Dr Robin P Sagar

  16. Shannon-information entropy sum as a correlation measure in atomic systems

    Article • Physical Review A, January 2003, American Physical Society (APS)

    Dr Robin P Sagar

  17. Physicochemical and structural properties of bacteriostatic sulfonamides: Theoretical study

    Article • International Journal of Quantum Chemistry, January 2003, Wiley

    Dr Robin P Sagar

  18. Relationships between Jaynes entropy of the one-particle density matrix and Shannon entropy of the electron densities

    Article • The Journal of Chemical Physics, June 2002, American Institute of Physics

    Dr Robin P Sagar

  19. Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems

    Article • Molecular Physics, October 2001, Taylor & Francis

    Dr Robin P Sagar

  20. Shannon entropies and logarithmic mean excitation energies from cusp- and asymptotic-constrained model densities

    Article • Physical Review A, January 2001, American Physical Society (APS)

    Dr Robin P Sagar

  21. Shannon information entropies of molecules and functional groups in the self-consistent reaction field

    Article • The Journal of Chemical Physics, May 2000, American Institute of Physics

    Dr Carlo Gatti, Dr Robin P Sagar

  22. Shannon entropy of chemical changes:SN2 displacement reactions

    Article • International Journal of Quantum Chemistry, January 2000, Wiley

    Dr Robin P Sagar

  23. Erratum: Pseudoconvexity of the atomic electron density: A numerical study [Phys. Rev. A 47 , 4735 (1993)]

    Article • Physical Review A, December 1999, American Physical Society (APS)

    Dr Robin P Sagar

  24. An information-entropic study of correlated densities of the water molecule

    Article • The Journal of Chemical Physics, December 1998, American Institute of Physics

    Shigeyoshi Yamamoto, Dr Robin P Sagar

  25. Amount of information present in the one-particle density matrix and the charge density

    Article • Physical Review A, November 1998, American Physical Society (APS)

    Dr Robin P Sagar

  26. Calculating the logarithmic mean excitation energy from the Shannon information entropy of the electronic charge density

    Article • Physical Review A, June 1998, American Physical Society (APS)

    Dr Robin P Sagar

  27. Molecular similarity based on information entropies and distances

    Article • The Journal of Chemical Physics, April 1998, American Institute of Physics

    Dr Carlo Gatti, Dr Robin P Sagar

  28. Jaynes information entropy of small molecules: Numerical evidence of the Collins conjecture

    Article • Physical Review A, December 1997, American Physical Society (APS)

    Dr Robin P Sagar

  29. Electron correlation in momentum space for the neon-atom isoelectronic sequence from F − through Ar 8 +

    Article • Physical Review A, September 1996, American Physical Society (APS)

    Dr Robin P Sagar

  30. Physical interpretation of information entropy: Numerical evidence of the Collins conjecture

    Article • Physical Review A, July 1996, American Physical Society (APS)

    Dr Robin P Sagar

  31. Measures of distance for atomic charge and momentum densities and their relationship to physical properties

    Article • International Journal of Quantum Chemistry, March 1995, Wiley

    Dr Robin P Sagar

  32. An investigation of the dependence of Shannon information entropies and distance measures on molecular geometry

    Article • International Journal of Quantum Chemistry, February 1995, Wiley

    Dr Robin P Sagar

  33. Density differences for near-Hartree-Fock atomic wave functions

    Article • Physical Review A, May 1994, American Physical Society (APS)

    Dr Robin P Sagar

  34. A numerical study of molecular information entropies

    Article • Chemical Physics Letters, March 1994, Elsevier

    Dr Robin P Sagar

  35. Nonconvexity of the atomic charge density and shell structure

    Article • Physical Review A, February 1994, American Physical Society (APS)

    Dr Robin P Sagar

  36. Pseudoconvexity of the atomic electron density: A numerical study

    Article • Physical Review A, June 1993, American Physical Society (APS)

    Dr Robin P Sagar

  37. Nonmonotonicity of the atomic electron momentum density

    Article • Physical Review A, April 1993, American Physical Society (APS)

    Dr Robin P Sagar

  38. Pseudoconvexity of the atomic electron density: Lower and upper bounds

    Article • Physical Review A, February 1993, American Physical Society (APS)

    Dr Robin P Sagar

  39. On the calculation of Rys polynomials and quadratures

    Article • International Journal of Quantum Chemistry, May 1992, Wiley

    Dr Robin P Sagar

  40. Asymptotic approximations from quadrature rules

    Article • Physical Review A, May 1992, American Physical Society (APS)

    Dr Robin P Sagar

  41. Electron correlation in momentum space: The beryllium-atom isoelectronic sequence

    Article • Physical Review A, April 1992, American Physical Society (APS)

    Dr Robin P Sagar

  42. An investigation of atomic structure in position and momentum space by means of "ideal shells"

    Article • Canadian Journal of Chemistry, February 1992, Canadian Science Publishing

    Dr Robin P Sagar

  43. A Gaussian quadrature for the calculation of generalized Fermi-Dirac integrals

    Article • Computer Physics Communications, September 1991, Elsevier

    Dr Robin P Sagar

  44. On the Evaluation of the Fermi-Dirac Integrals

    Article • The Astrophysical Journal, July 1991, Institute of Physics Publishing

    Dr Robin P Sagar

  45. Momentum-space properties of the neutral atoms from H through U

    Article • Atomic Data and Nuclear Data Tables, July 1991, Elsevier

    Dr Robin P Sagar

  46. On the determination of atomic shell boundaries

    Article • The Journal of Chemical Physics, June 1991, American Institute of Physics

    Dr Robin P Sagar

  47. Does the atomic structure factor show atomic structure?

    Article • The Journal of Chemical Physics, March 1991, American Institute of Physics

    Dr Robin P Sagar

  48. A Gaussian quadrature for the optimal evaluation of integrals involving Lorentzians over a semi-infinite interval

    Article • Computer Physics Communications, January 1991, Elsevier

    Dr Robin P Sagar

  49. Topographical features of the Laplacian of the momentum density of atoms and ions most indicative of shell structure

    Article • The Journal of Chemical Physics, June 1989, American Institute of Physics

    Dr Robin P Sagar

  50. The radial charge distribution and the shell structure of atoms and ions

    Article • Canadian Journal of Chemistry, August 1988, Canadian Science Publishing

    Dr Robin P Sagar

  51. An examination of the shell structure of atoms and ions as revealed by the one-electron potential,

    Article • Canadian Journal of Chemistry, April 1988, Canadian Science Publishing

    Dr Robin P Sagar

  52. The Laplacian of the charge density and its relationship to the shell structure of atoms and ions

    Article • The Journal of Chemical Physics, April 1988, American Institute of Physics

    Dr Robin P Sagar