Dilip Kanhere

Personal Home Page

http://physics.unipune.ernet.in/~kanhere/

Articles in Scholarly Journals [Incomplete List]

  1. Density functional investigation of the interaction of acetone with small gold clusters
    The Journal of Chemical Physics, vol. 126, no. 1, p. 014704, 2007
  2. Electronic structure of spherical quantum dots using coupled cluster method
    The Journal of Chemical Physics, vol. 127, no. 11, p. 114708, 2007
  3. Melting of Aluminum Cluster Cations with 31-48 Atoms: Experiment and Theory
    Journal of Physical Chemistry C, vol. 111, no. 48, pp. 17788–17794, 2007
  4. Density functional analysis of the structural evolution of Ga[sub n] (n=30–55) clusters and its influence on the melting characteristics
    The Journal of Chemical Physics, vol. 127, no. 5, p. 054308, 2007
  5. Publisher's Note: Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn_{n} and As@Mn_{n} [Phys. Rev. B 75, 214433 (2007)]
    Physical Review B, vol. 76, no. 1, 2007
  6. Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn_{n} and As@Mn_{n}
    Physical Review B, vol. 75, no. 21, 2007
  7. Dopant-induced stabilization of silicon clusters at finite temperature
    Physical Review B, vol. 75, no. 4, 2007
  8. Effects of geometric and electronic structure on the finite temperature behavior of Na_{58} , Na_{57} , and Na_{55} cluster
    Physical Review B, vol. 75, no. 12, 2007
  9. Electronic structure of many-electron square-well quantum dots with and without an attractive impurity: Spin-density-functional theory
    Physical Review B, vol. 76, no. 8, 2007
  10. Electronic structures, equilibrium geometries, and finite-temperature properties of Na_{n} (n=39–55) from first principles
    Physical Review B, vol. 76, no. 16, 2007
  11. Equilibrium geometries, electronic structure, and magnetic properties of Ni_{n}Sn clusters (n=1–12)
    Physical Review B, vol. 76, no. 19, 2007
  12. Thermodynamics of carbon-doped Al and Ga clusters: Ab initio molecular dynamics simulations
    Physical Review B, vol. 76, no. 23, 2007
  13. Structure, electronic properties, and magnetic transition in manganese clusters
    Physical Review B, vol. 73, no. 22, 2006
  14. Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters
    Physical Review B, vol. 73, no. 7, 2006
  15. “Magic Melters” Have Geometrical Origin
    Physical Review Letters, vol. 96, no. 13, 2006
  16. Finite-temperature behavior of small silicon and tin clusters: An ab initio molecular dynamics study
    Physical Review B, vol. 73, no. 4, 2006
  17. Geometry, electronic properties, and thermodynamics of pure and Al-doped Li clusters
    Physical Review B, vol. 74, no. 24, 2006
  18. The Journal of Physical Chemistry A, vol. 110, no. 1, pp. 252–256, 2006
  19. The Journal of Physical Chemistry A, vol. 110, no. 10, pp. 3814–3819, 2006
  20. Structural, Electronic, and Bonding Properties of Zeolite Sn-Beta: A Periodic Density Functional Theory Study
    Chemistry - A European Journal, vol. 12, no. 2, pp. 518–523, 2006
  21. Size-sensitive melting characteristics of gallium clusters: Comparison of experiment and theory for Ga_{17}^{+} and Ga_{20}^{+}
    Physical Review B, vol. 73, no. 4, 2006
  22. First principles calculations of melting temperatures for free Na clusters
    Physical Review B, vol. 71, no. 15, 2005
  23. Structures, energetics, and magnetic properties of Ni_{n}B clusters with n=1–8,12
    Physical Review A, vol. 71, no. 6, 2005
  24. Ab initio density-functional study of the equilibrium geometries and the electronic properties of Li_{10-n}Sn_{n}(n=0–10) clusters
    Physical Review A, vol. 72, no. 1, 2005
  25. First-principles investigation of finite-temperature behavior in small sodium clusters
    The Journal of Chemical Physics, vol. 123, no. 16, p. 164310, 2005
  26. The Journal of Physical Chemistry A, vol. 108, no. 4, pp. 628–631, 2004
  27. Aromaticity and antiaromaticity of LixAl4 clusters: Ring current patterns versus electron countingPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.
    Physical Chemistry Chemical Physics, vol. 6, no. 2, p. 285, 2004
  28. Evolution of the structural and bonding properties of aluminum-lithium clusters
    Physical Review A, vol. 70, no. 2, 2004
  29. Why Do Gallium Clusters Have a Higher Melting Point than the Bulk?
    Physical Review Letters, vol. 92, no. 13, 2004
  30. Ab initio absorption spectra of Al_{n} (n=2–13) clusters
    Physical Review B, vol. 68, no. 3, 2003
  31. Thermodynamics of tin clusters
    Physical Review B, vol. 67, no. 23, 2003
  32. Ab initio density functional investigation of B_{24} clusters: Rings, tubes, planes, and cages
    Physical Review B, vol. 68, no. 3, 2003
  33. A study of electronic and bonding properties of Sn doped Li[sub n] clusters and aluminum based binary clusters through electron localization function
    The Journal of Chemical Physics, vol. 118, no. 16, p. 7288, 2003
  34. Finite temperature behavior of impurity doped Lithium cluster, Li[sub 6]Sn
    The Journal of Chemical Physics, vol. 119, no. 23, p. 12301, 2003
  35. Competition between columnar pins and vortex screening: A doubly reentrant phase diagram
    Physical Review B, vol. 66, no. 10, 2002
  36. Density-functional investigation of the size dependence of the electronic structure of mixed aluminum-sodium clusters
    Physical Review B, vol. 65, no. 8, 2002
  37. Abnormally high melting temperature of the Sn_{10} cluster
    Physical Review B, vol. 66, no. 15, 2002
  38. Topological study of charge densities of impurity doped small Li clusters
    Physical Review A, vol. 63, no. 6, 2001
  39. Structural and electronic properties of aluminum-based binary clusters
    Physical Review B, vol. 64, no. 15, 2001
  40. Model dependence of the thermodynamic properties of Na_{8} and Na_{20} clusters studied with ab initio electronic structure methods
    Physical Review B, vol. 64, no. 4, 2001
  41. Density-functional study of electronic structure and related properties of aluminum-doped sodium clusters
    Physical Review A, vol. 63, no. 4, 2001
  42. Density functional study of structural and electronic properties of Na[sub n]Mg (1=n=12) clusters
    The Journal of Chemical Physics, vol. 115, no. 5, p. 2109, 2001
  43. Approximate quantum cloning and the impossibility of superluminal information transfer
    Physical Review A, vol. 62, no. 6, 2000
  44. Ab initio linear scaling method for electronic structure calculations via local scaling transformations
    Physical Review A, vol. 62, no. 6, 2000
  45. Ground-state geometries and stability of Na $\mathsf{_n}$ Mg $\mathsf{(n=1\mbox{--}12)}$ clusters using ab initio molecular dynamics method
    The European Physical Journal D - Atomic, Molecular and Optical Physics, vol. 6, no. 4, pp. 495–500, 1999
  46. Clustering behaviour in bimetallic clusters: a density functional theory based molecular dynamics study
    Chemical Physics Letters, vol. 311, no. 1-2, pp. 62–68, 1999
  47. Journal of Physics: Condensed Matter, vol. 11, no. 18, pp. 3635–3644, 1999
  48. International Journal of Modern Physics B [Condensed Matter Physics; Statistical Physics; Applied Physics], vol. 13, no. 7, p. 807, 1999
  49. Journal of Physics: Condensed Matter, vol. 10, no. 15, pp. 3309–3320, 1998
  50. Surface coverage studies of the $\sf Al_{13}$ icosahedron by Li using density based molecular dynamics
    The European Physical Journal D - Atomic, Molecular and Optical Physics, vol. 4, no. 1, pp. 89–94, 1998
  51. Structure and stability of Al-doped small Na clusters: Na_{n}Al (n=1,10)
    Physical Review A, vol. 57, no. 6, pp. 4522–4527, 1998
  52. Journal of Physics: Condensed Matter, vol. 9, no. 10, pp. 2165–2177, 1997
  53. Journal of Physics: Condensed Matter, vol. 8, no. 17, pp. L253–L260, 1996
  54. Ab initio molecular dynamics using density-based energy functionals: Application to ground-state geometries of some small clusters
    Physical Review B, vol. 53, no. 4, pp. 2126–2131, 1996
  55. Ground state geometries and energetics of ALnLi (n = 1, 13) clusters using ab initio density-based molecular dynamics
    Chemical Physics Letters, vol. 261, no. 4-5, pp. 515–520, 1996
  56. Journal of Physics: Condensed Matter, vol. 7, no. 30, pp. 6019–6034, 1995
  57. Journal of Physics: Condensed Matter, vol. 6, no. 49, pp. 10773–10781, 1994
  58. Approach to the electronic structure of antiferromagnets
    Journal of Applied Physics, vol. 75, no. 10, p. 7024, 1994
  59. Band model of antiferromagnetism
    Physical Review B, vol. 49, no. 18, pp. 12823–12830, 1994
  60. Spin-charge separation in two dimensions: A numerical study
    Physical Review B, vol. 48, no. 14, pp. 10563–10566, 1993
  61. Small cluster studies of the lattice Anderson model
    Journal of Applied Physics, vol. 73, no. 10, p. 5406, 1993
  62. Journal of Physics: Condensed Matter, vol. 5, no. 40, pp. L487–L492, 1993
  63. Momentum distribution in vanadium: Compton scattering and positron annihilation
    Physical Review B, vol. 46, no. 12, pp. 7857–7863, 1992
  64. Journal of Physics: Condensed Matter, vol. 4, no. 46, pp. 8975–8988, 1992
  65. Journal of Physics: Condensed Matter, vol. 4, no. 22, pp. 5173–5180, 1992
  66. Journal of Physics: Condensed Matter, vol. 3, no. 19, pp. 3311–3315, 1991
  67. Journal of Physics: Condensed Matter, vol. 3, no. 9, pp. 1113–1131, 1991
  68. A simulated annealing based algorithm for eigenvalue problems
    Computer Physics Communications, vol. 62, no. 1, pp. 8–15, 1991
  69. Configuration interaction method for model Hamiltonian clusters
    Solid State Communications, vol. 77, no. 8, pp. 613–616, 1991
  70. The role of off-plane oxygens in the enhancement of the pairing interaction in Cu-O clusters
    Journal of Physics: Condensed Matter, vol. 2, no. 29, pp. 6337–6337, 1990
  71. Small-cluster calculations for the simple and extended Hubbard models
    Physical Review B, vol. 42, no. 1, pp. 465–474, 1990
  72. Journal of Physics: Condensed Matter, vol. 1, no. 45, pp. 9051–9055, 1989
  73. Journal of Physics F: Metal Physics, vol. 18, no. 9, pp. L201–L205, 1988
  74. Xa approach to the atom in jellium model
    Solid State Communications, vol. 66, no. 11, pp. 1189–1190, 1988
  75. Anisotropies of Compton profiles in nickel
    Physical Review B, vol. 38, no. 17, pp. 12653–12655, 1988
  76. Cluster simulation of the lattice Anderson model
    Physical Review B, vol. 38, no. 4, pp. 2583–2595, 1988
  77. Compton profile of palladium
    Physical Review B, vol. 37, no. 12, pp. 6821–6826, 1988
  78. Electronic and magnetic properties of manganese impurities in aluminum
    Physical Review B, vol. 36, no. 17, pp. 9263–9266, 1987
  79. Polarization-induced pairing in high-temperature superconductivity
    Physical Review B, vol. 36, no. 13, pp. 7141–7144, 1987
  80. Periodic Anderson model for four-site clusters
    Physical Review B, vol. 35, no. 10, pp. 5013–5024, 1987
  81. Two-photon momentum density and angular correlation of positron annihilation radiation in Pd and PdH
    Physical Review B, vol. 34, no. 2, pp. 853–858, 1986
  82. Exchange-correlation potentials for spin-polarized systems at finite temperatures
    Physical Review A, vol. 33, no. 1, pp. 490–497, 1986
  83. Slater transition state calculations of Auger energies for some simple metals in atom in jellium model
    Solid State Communications, vol. 60, no. 12, pp. 935–937, 1986
  84. Electronic structure of some heteronuclear diatomic molecules in the local spin density approximation
    The Journal of Chemical Physics, vol. 82, no. 2, p. 868, 1985
  85. Electron momentum distribution in Pd and PdH
    Physical Review B, vol. 31, no. 10, pp. 6415–6419, 1985
  86. Journal of Physics B: Atomic and Molecular Physics, vol. 17, no. 15, pp. 3003–3008, 1984
  87. Self interaction corrected density functional calculation of the core level binding energies for simple metals, Mg and Al
    Solid State Communications, vol. 51, no. 11, pp. 897–899, 1984
  88. Total energy of Al within the neutral-pseudoatom model
    Physical Review B, vol. 28, no. 6, pp. 3582–3584, 1983
  89. Locally averaged Compton profile of Al
    Solid State Communications, vol. 48, no. 7, pp. 619–620, 1983
  90. Electron Momentum Distribution and Compton Profiles of Ag
    physica status solidi (b), vol. 105, no. 2, pp. 715–722, 1981
  91. Journal of Physics B: Atomic and Molecular Physics, vol. 13, no. 16, pp. 3075–3080, 1980
  92. Journal of Physics F: Metal Physics, vol. 7, no. 12, pp. 2603–2612, 1977
  93. Journal of Physics F: Metal Physics, vol. 5, no. 6, pp. 1146–1154, 1975