M.Sc., Ph.D., Postdoc(USA) Professor Theoretical Physics et.in
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1 Name RAJEEV K. PATHAK Qualification Designation Specialization M.Sc., Ph.D., Postdoc(USA) Professor Theoretical Physics et.in Phone , Ext Education Course Institution Year 1 B.Sc. (Physics) 2 M.Sc. (Physics) 3 Ph.D. (theoretical Physics) Fergusson College, University of Pune 1976 Department of Physics, University of Pune 1978 Department of Physics, University of Pune Career Profile Organisation / Institution Designation Duration 1 University of North Carolina, Chapel Hill, NC, USA Postdoctoral Fellow 2 Tulane University, New Orleans, LA, USA Postdictoral Fellow ; 3 University of Pune, Pune, India Present: Professor 1989-to date 4 Tulane University, New Orleans, LA, USA VISITING PROFESSOR Teaching Experience (Subjects/Courses Taught) 20 years' teaching experience. Quantum Mechanics-I, Quantum Mechanics-II, Quantum Mechanics-III, Quantum Me Undergraduate level: Physics 122 (Algebra based) to 3 sections at Tulane, New Orleans, LA, USA. 4 Research Interests / Specialization Density Functional Theory, Electron Momentum Density, Mathematical Inequalities in Physics, Molecular Clusters, 5 Honors & Awards UGC Career Award; Member, International Advisory Board for Electron Systems (Boston University), International C 6 Publication - Books, Journals, Articles Year of Publication Title Co-Author PLEASE SE BELOW: 51 Research Papers in 1 International Journals Publication - Conference Presentations New Orleans, LA, USA (2008); Atlanta, GA, USA (2006); Bos
2 8 Professional Societies Memberships Member, The American Physical Society; Fellow, Maharashtr 9 Public Service / University Service / Consulting Activity 10 Projects (Major Grants / Collaborations) Have completed several research schemes: (i) UGC, New Delhi: Compton Defect ; (ii) UGC Career Award Scheme (Atomic Energies, Positron-States, Density Functional Theory) (iii) C- DAC Project (iv) University- Potential-for- Excellence Award of a Research Scheme (ongoing) for study of molecular nanosize clusters and their behavior in Electric Field 11 Other Details 1. Direct and Reverse Transformations between Electron Density and Electron Momentum Density * S. R. Gadre and R. K. Pathak Physical Review A (American Physical Society)
3 Volume A24, pages (Year :1981). 2. Estimation of <p> and <1/p> from Atomic Electron Densities *R. K. Pathak and S.R.Gadre Journal of Chemical Physics (of the American Institute of Physics) Volume 74, pages ( Year : 1981). 3. On Representation of the Coulomb Integral by One-Electron Functional * S. R. Gadre and R. K. Pathak Journal of Chemical Physics 75, (1981). 4. Local Density Functional Model for Atoms in Momentum Space *R. K. Pathak, P. V. Panat and S. R. Gadre Physics Review A25, (1982). 5. Lower Bounds to the Weizsäcker Correction * S. R. Gadre and R.K. Pathak Physical Review A25, (1982).
4 6. Relationships between the Terms in the Gradient Expansion :Kinetic and Exchange Energy Functionals * R. K. Pathak and S. R. Gadre Physical Review A25, (1982). 7. Estimation of <p> and <1/p> from Atomic Electron Densities : A. comment * S. R. Gadre and R. K. Pathak Journal of Chemical Physics 77, (1983). 8. On Monotonicity of the Atomic Electron Momentum Density and The Shell- Structure Characteristics of the Radial Momentum Density * S. R. Gadre, S.J. Charavorty and R.K.Pathak Journal of Chemical Physics, 78, (1983). 9. Electron Density to Electron Momentum Density : The use of an Energy Constraint * S. R. Gadre, S. P. Gejji and R. K. Pathak
5 Physical Review A27, (1983). 10. Electron Density to Electron Momentum Density: Connection with the Locally Averaged Method. * S. R. Gadre, S. P. Gejji and R. K. Pathak Physical Review A28, (1983). 11. Gradient-free Representation of the Weizsäcker term for Atoms. * R. K. Pathak and S. R. Gadre Physical Review A28, (1983). 12. An Upper Bound to the Exchange Integral for Coulomb Interactions * R. K. Pathak Journal of Chemical Physics 80, (1984). 13. Bound Excited States within Density Functional Formalism: The Levy functional. * R. K.Pathak Physical Review A29, (1984). 14. From Molecular Electron Density to Electron Momentum Density * R. K. Pathak, S. P. Gejji and S. R. Gadre
6 Physical Review A29, (1984). 15. Statistical Electron Angular Correlation Coefficients within the Hohenberg - Kohn - Sham Theory, for Atomic Systems * R. K. Pathak Physical Review A31, (1985). 16. Relationships among the Terms in the Gradient Expansion of the Kinetic and Exchange- Correlation Energy Functionals. II * R.K. Pathak and L.J. Bartolotti Physical Review A31, (1985). 17. Approximate Relationships between Density Power Integrals, Moments of the Momentum Density and Interelectronic Repulsions in Diatomic Molecules * R. K. Pathak, B. S. Sharma and A. J. Thakkar Journal of Chemical Physics 85, (1986). 18. Fourth- Order Gradient Expansion of the Fermion Kinetic Energy:
7 Extra Terms for Non- Analytic Densities *J. P. Perdew, V. Sahni, M. Harbola and R.K. Pathak Physical Review- B- 34, (1986). 19. Very Short range Interatiomic Potentials * R. K. Pathak and A. J. Thakkar Journal of Chemical Physics 87, (1987). 20. Indirect-path Method for Atomic and Molecular Energies, and New Koopmans Theorems * M. Levy, R. K. Pathak, J.P. Perdew and S.Wei Physical Review- A36, (1987). (Rapid Communication) 21. Interconnections between Electron Densities in Position and Momentum spaces * S. R. Gadre and R. K. Pathak In Lecture Notes in Chemistry series, by Springer-Verlag, Vienna Volume 50 (1988), (18 pages).
8 22. Bounds to Electron- Repulsion Integrals (Invited Article) * S. R. Gadre and R. K. Pathak Proceedings of The Academy of Sciences-I Vol.100, pp (1988). 23. Developments of Links between Electron Densities in Complementary Spaces * R. K. Pathak and S. R. Gadre Portugalea Fisica Vol.19, pp (1988). 24. Rigorous Bounds to Molecular Electron Repulsion and Electrostatic Potential Integrals * S. R. Gadre, S.A. Kulkarni and R. K. Pathak Journal of Chemical Physics, 91, (1989). 25. Reduced First-order Density Matrices and Exchange-only Correlation-Factors for some Closed-shell Atomic Systems.
9 * S. R. Gadre, S.A. Kulkarni and R.K. Pathak Physical Review B41, (1989). 26. Critical Indices for High Tc Superconductors *R. K. Pathak and P. V.Panat Physical Review- B41, (1990). 27. Atomic and Molecular Diamagnetic Susceptibilities from Compton Scattering Data * S. R. Gadre and R.K. Pathak Physical Review-A92, (1990). 28. Momentum Space Atomic First-Order Density Matrices and Exchange only Correlation Factors. * R. K. Pathak, S. A. Kulkarni and S. R. Gadre Physical Review A42, (1990). 29. Maximal and Minimal Characteristics of Molecular Electrostatic Potentials * R. K. Pathak and S. R. Gadre Journal of Chemical Physics, 93, (1990).
10 30. Non-occurrence of Non-nuclear Strict Maxima in Molecular Electrostatic Potentials (Invited Article) * S. R. Gadre and R.K. Pathak Proceedings of the Indian Academy of Sciences, Vol.102, pp (1990). 31. Reply to the Comment on Maximal and Minimal Characteristics of Molecular Electrostatic Potentials : Some Further Extensions. * S. R. Gadre, S. A. Kulkarni and R.K. Pathak Journal of Chemical Physics, 94, (1991). 32. Bounds to Atomic and Molecular Energy Functionals * S. R. Gadre and R. K. Pathak Advances in Quantum Chemistry, Vol.22, pp (Academic Press, U.S.A., 1991). 33. Topographical View of Molecular Electron Momentum Density
11 * S. A. Kulkarni, S. R. Gadre and R.K. Pathak Physical Review- A42, (1992). 34. Density-based Molecular Electron Localization Functions * S. R. Gadre, S. A. Kulkarni and R. K. Pathak Journal of Chemical Physics, 98, (1993). 35. Leading Corrections to the Atomic Impulseapproximation Comption Profiles: A Density Functional Approach * R. K. Pathak, A. Kshirsagar, R. Hoffmeyer and A. J. Thakkar Physical Review- A48, (1993). 36. A necessary Condition for Atom- Positron Bound State * R. K. Pathak Physical Review- A50, (1994). 37. Positron Binding: A Positron-Density Viewpoint * T. Baruah, R.R. Zope, A. Kshirsagar and R. K. Pathak Physical Review- A50, (1994).
12 38. Leading Corrections to Atomic Impulse Approximatin Compton profiles: Second order Correction * R. R. Zope, A. Kshirsagar and R. K. Pathak Chemical Physics Letters (Elsevier, Amsterdam) Volume 242, pp (1995). 39. Indirect path method: Accurate total atomic energies * M. K. Harbola, R. R. Zope and R. K. Pathak Physical Review A53, (1996). 40. Density-Functional approach to positronneutral atom bound states * T. Baruah, R. K. Pathak, A. Kshirsagar Physical Review A55, (1997). 41. Atomic Compton Profiles Within different exchange-only theories * R. R. Zope, M. K. Harbola and R. K. Pathak European Physical Journal D7, (1999).
13 42. Ab initio Studies of anionic water pentamer clusters * S. A. Kulkarni, L. J. Bartolotti and R. K. Pathak Journal of Chemical Physics 113, (2000). 43. Ab initio investigations on neutral clusters of ammonia: (NH 3 )n (n=2-6) * S. A. Kulkarni and R. K. Pathak Chemical Physics Letters 336, (2001). 44. Ab initio investigations on neutral Hydrogen Peroxide clusters: (H 2 O 2 ) n (n=2,4) * S. A. Kulkarni, L. J. Bartolotti and R. K. Pathak Chemical Physics Letters 372, (2003). 45. Structures, energetics and vibrational Spectra of (H 2 O 2 ) (H 2 O 2 ) n n = 1-6 : Ab Initio quantum chemical investigations *A.D. Kulkarni, R.K. Pathak and L.J. Bartolotti
14 Journal of Physical Chemistry (American Chemical Society) 109, (2005). 46. Momentum-space properties from Coordinate-space electron density *M.K. Harbola, R.R. Zope, A. Kshirsagar and R. K. Pathak Journal of Chemical Physics 122, (1-5) (2005). 47. Effect of additional water on hydrated hydrogen peroxide: a quantum chemical study * A.D. Kulkarni, R.K. Pathak and L.J. Bartolotti Journal of Chemical Physics 124, (1-7) (2006). 48. Interaction of peroxyformic acid with water molecules: A firstprinciples study * A.D. Kulkarni, D. Rai, L.J. Bartolotti, and R.K. Pathak Journal of Physical Chemistry A 110 (42), (2006).
15 49. Electric field effects on aromatic and aliphatic hydrocarbons: A Density- Functional study * D. Rai, H. Joshi, A.D. Kulkarni, S.P. Gejji, and R.K. Pathak Journal of Physical Chemistry-A: 111 (37), , 2007). 50. The Methylhydroperoxide dimer: a Novel Molecular Cluster * A.D. Kulkarni, D. Rai, L.J. Bartolotti and R.K. Pathak Journal of Molecular Physics THEOCHEM 824, (2007). 51. Water clusters (H 2 O) n, n= 6-8 in external electric fields * D. Rai, A. D. Kulkarni, S. P. Gejji, and R. K. Pathak Journal of Chemical Physics 128, , (2008).
16 Details 86.20%, Stood First in Physics 18.30%, Stood First in Physics w ral Fellow ; 1989-to date PROFESSOR 2007 II, Quantum Mechanics-III, Quantum Mechanics-IV, Electrodynamics-I, Electroynamics-II, Classical Mechanics ew Orleans, LA, USA. ualities in Physics, Molecular Clusters, Clusters in External electric fields ems (Boston University), International Center for Theoretical Physics: Senior Group Associateship. Book/Journal/Article A (2008); Atlanta, GA, USA (2006); Boston, MA, USA (1997)
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