head>

Professor Dr. Rajeev K. Pathak

Professor of Physics

 

 

Rajeev K. Pathak

 

Rajeev.JPG

Contact Information

 

Professor Dr. Rajeev K. Pathak

Department of Physics

University of Pune

Pune 411007, MH, INDIA

 

Phone: +91-20-2569-9072 (Extn.: 324)

Fax: +91-20-2569-1684

 


E-Book Download!: Please click here to dowload Rajeev Pathak's Psi of Relief

 

Education

B. Sc.

Fergusson College

University of Poona

Pune, India

Physics

86.20% (marks obtained)

Was awarded all the 4 prizes in physics for topping in Physics (Percentile: 100%)

 

M. Sc.

Dept. of Physics

University of Poona

Pune, India

Physics

81.30% (marks obtained)

Stood First at the university, Awarded Physics prize (Percentile: 100%)

 

Ph. D.

Dept. of Physics

University of Poona

Pune, India

 

Physics

Theoretical Physics

Title of Ph.D. Dissertation:

Some Investigations on Atoms and Molecules within the Density Functional Formalism, Under the supervision of Professor Dr. P.V. Panat. Also, had an opportunity to work with Professor Dr. S. R. Gadre.

Post doctoral research:

In U.S.A. chiefly: 1982-1986, 1992, 1997

        Professor Dr. Robert G. Parr's Group, University of North Carolina, Chapel Hill, NC, U.S.A.

        Quantum Theory Group at the Tulane University, New Orleans, Louisiana, U.S.A with Professor Dr. Mel Levy and Professor Dr. John Perdew.

        University of New Brunswick, Fredericton, Canada: Professor Dr. Ajit J. Thakkar's group.

        Quantum Theory Group at the Tulane University, New Orleans, Louisiana, U.S.A with Professor Dr. Mel Levy.

Awards at the National/International levels

Winner of the Career Award in Physics endowed by the University Grants Commission, New Delhi India (award availed during 1995 - 1998). American Physical Society's Visiting Professorship[ May-June, 2010 ] for delivering seminars in colleges affiliated to the City University of New York on a diversified set of my research themes in atomic and molecular physics.

Research interest and experience:

 

         Engaged in research in theoretical Physics within the field Density Functional Theory, which offers an exact general formalism describing atoms, molecules and solids. Have been engaged in formal developments as well as applications of theory.

         Have worked on the problems : Electronic exchange and correlation effects in atoms in both position and momentum spaces. Intermolecular potential energy surfaces. Electron Momentum-Distributions. Rigorous inequalities in atomic and molecular physics. Electrostatic Potentials for molecules. Structure and properties of Density - Matrices in co-ordinate and momentum spaces. Critical. Exponents in High-Tc superconductivity via a theoretical model. Compton Defect within the Kohn-Sham approach. Positron-atom binding. Indirect paths for accurate atomic energies.

         Ab initio studies on Water anionic clusters. Hydrogen bonded clusters and their response to external electric fields.

 

 

         Countries Visited

 

         Long Stays:

The United States of America:

1982 -- through-- 1986 ; June 1992- August 1992; May-August1997; March-April 2006; January 2007 -through- July 2007, March 2008; March 2009; May-June, 2010; March-April, 2011; October 2011; February-March, 2012 March-April, 2013; February-March, 2014; February-March, 2015; March, 2016; May-June 2016; March, 2017.

 

Canada

Part of 1986; May1992 - June 1992; October, 2011

 

Italy and Germany

July 1991-August 1991; May-June, 2004

 

Short Stays

Portugal, The United Kingdom, Spain, Belgium,Luxemb(o)urg, The Netherlands, Germany (Deutschland), Austria (Oesterreich),Switzerland, Norway, Italy, France, Sweden, Finland, Denmark, Singapore, Malaysia, Thailand.

 

Teaching

 

Graduate (Master's) level:

Have been working as a Professor of Physics at the Department of Physics, University of Pune, Pune, India. Have taught 4 (four) full courses in Quantum Mechanics at introductory, intermediate and advanced levels and a special course on Introductory Quantum Electrodynamics. Further, have taught two full courses on Classical Electrodynamics. Also, have conducted a large number of problem solving sessions for Master's Degree students for the subjects: Classical Mechanics, Quantum Mechanics, Statistical Mechanics and Electrodynamics.

Have taught classical mechanics (calculus-based); electricity and magnetism, heat and thermodynamics, mathematics for physics, modern physics at the Bachelor-level.

 

Undergraduate level:

* Teaching carried out in the United States of America:

During the Spring Semester of 2007 (January-July, 2007) I was offered a visiting professorship at the Department of Physics, Tulane University, New Orleans, Louisiana-70118, U.S.A. I taught undergraduate physics courses PHYSICS 122 Section 01, PHYSICS 122 Section 02, PHYSICS 122 Section 03, an algebra-based non-calculus course to the above three classes (sections). The prescribed text was Cutnell and Johnson's Introductory Physics. The student community included a substantial contingent of pre-medical students.

 

* Teachers' Training Courses Conducted:

Have conducted several Refresher Courses aimed at training College Teachers nationwide in India, sponsored by the University Grants Commission, New Delhi, India. Refresher Courses in Mechanics, Electricity and Magnetism, Quantum Mechanics, Statistical Mechanics, Thermodynamics, Elementary Optics, Atomic and Molecular Physics, Quantum Chemistry and Mathematical Physics were conducted. These courses comprise revision of the concepts and wherever possible, experimental back-up. Also, arranged two visits to the world's largest functional Giant Meter-wave Radio Telescope (GMRT) facility at Narayangaon, near Pune, India. Conducted intensive problem-solving for college teachers in Classical Mechanics, Quantum Mechanics and Electrodynamics.

 

External Funding Sought:

Have completed several research schemes:

(i)       UGC, New Delhi: Compton Defect;

(ii)     UGC Career Award Scheme (Atomic Energies, Positron-States, Density Functional Theory)

(iii)   Center for Development of Advanced Computing (C-DAC) India, Project

(iv)   University-Potential-for-Excellence Award of a Research Scheme (on-going) for study of molecular nano-size clusters and their behavior in Electric Field.

 

Conferences Attended:

  Had an opportunity to attend the NATO sponsored International Conference on Theoretical Physics: The Density Functional Formalism for atoms, Molecules, Solids and Nuclei; in Alcabideche, Lisbon, Portugal, in September 1983.

  Also, participated in the Mardi Gras conference in New Orleans, Louisiana, U.S.A. in February 1984.

  Participated in the workshop for Atomic, Molecular and Solid State Physics at the International Center for Theoretical Physics, at Trieste, Italy, during July-August, 1991.

  Visited University of New Brunswick, Fredericton, N.B., Canada during May 1992 to June,1992;

  University of North Carolina, Chapel Hill, N.C., U.S.A. and Tulane University, Louisiana, U.S.A.; Princeton University, Princeton, N.J., U.S.A.; Duke University, Durham, N.C., U.S.A.; the City University of New York, New York, U.S.A. during June,1992 to August, 1992 for further research.

  Attended and delivered a seminar in the CMT-XX ("Condensed Matter Theories-20") International conference hosted by our University in December 1996 (this was a truly international conference, Dr. Eric Cornell, its participant won the Nobel Prize later, for experimental demonstration of Bose-Einstein Condensation).

  Was an invited speaker as well as a member of the International Advisory Board for the SCCS - 97 (i.e. Strongly Coupled Coulomb Systems, 1997) International Conference, which was attended during July-August 1997, in Boston, Massachusetts, U.S.A.

  Nanophysics conference/workshop at the International Center of Theoretical Physics, Trieste, Italy, during May-June, 2004.

  The International Symposium on Frontiers in Density Functional Theory: Fundamentals and Applications, ACS Conference in honor of Professor Dr. Robert G. Parr's 85th Birthday, Atlanta, GA, USA (March-April, 2006: Invited talk);

  The American Physical Society March 2008 Meeting at New Orleans, LA, USA (March, 2008:poster presentation).Also, in March, 2009 attended the APS Meeting in Pittsburgh, PA. U.S.A. (Poster Presentation); March-April 2011: March APS Meeting at Dallas, TX, USA (Poster: March 23, 2011); February-March, 2012: APS March Meeting at Boston, Massachusetts, U.S.A. (Poster: February 28, 2012)); APS Baltimore MD U.S.A. March Meeting (March, 2013): Presented "Stability of Water Clusters in External Fields" (Poster Session--March 20, 2013); APS Denver, Colorado. U.S.A.: Emergence of "exotic" O-H stretching frequencies in water clusters subjected to external electric fields, near breakdown (March 05, 2014)Poster Presentation; March 2015--- APS San Antonio, TX, U.S.A. Meeting: Presented a Poster "Electric Field: Maker and Breaker of Stability: The paradigm of methanol-water clusters (March 03, 2015). The APS participation was flanked by the following invited talks: February 26, 2015: Special Invited Colloauium at IUPUI, Indianapolis, IN, U.S.A. on "Aspects of The Stability of Matter under Coulomb Interactions"; March 09, 2015: Special Invited Colloquium on "Surprises in Physics" at the New Jersey Institute of Technology, Newark, NJ, U.S.A. Presented "Encaged moleules in Water Bucky-balls in External Electric Fields: A Molecular tug-of-war" March 16, 2016 at the 2016 APS March Meeting, Baltimore, Maryland, U.S.A. Presented "Single molecules in external electric fields: exotic UV spectroscopy", at the APS March, 2017 Meeting in New Orleans, Louisiana, U.S.A.; on March 15, 2017.

 

         Membership of Professional Bodies :

The American Physical Society -APS- (Member) and also an APS Visiting Professor.

 

Referral Activities:

Journal of Chemical Physics, Journal of Physical Chemistry, Journal of Molecular Structure (Theochem), Physical Review-A, Physical Review Letters

 

Miscellaneous :

 

   Worked as a joint secretary, Indian Physics Association, Poona Chapter, during 1979 1982;

 

   Also, as Secretary (1989-1992) of a popular Science Club, viz. 'Jijnyasa', aimed at initiating science-awareness, especially amongst school and college students. Contributed some demonstration apparatuses to Exploratory. During the spring semester of 2007, at Tulane, developed some simple apparatuses bringing out the principles underlying various physical phenomena in sound wave propagation, electricity and magnetism for undergraduates.

 

   Actively participated in Athletics. Won the titles 'Mr. Fergusson College' and 'Mr.Poona University'.

 

   Conducted and participated in several mountaineering expeditions in the Western Indian Region.

 

Research Publications

 

I. Papers published/Accepted for publication:

         

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)

Volume A24, pages 2906-2912 (Year :1981).

 

2.      Estimation of <p> and <1/p> from Atomic Electron Densities

*R. K. Pathak and S.R.Gadre

Journal of Chemical Physics

Volume 74, pages 5925-5926 ( 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, 4740-4741 (1981).

 

4.      Local Density Functional Model for Atoms in Momentum Space

*R. K. Pathak, P. V. Panat and S. R. Gadre

Physics Review A25, 3073-3077 (1982).

 

5.      Lower Bounds to the Weizsäcker Correction

* S. R. Gadre and R.K. Pathak

Physical Review A25, 668-670 (1982).

 

6.      Relationships between the Terms in the Gradient Expansion :Kinetic and Exchange Energy Functionals

* R. K. Pathak and S. R. Gadre

Physical Review A25, 3426-3428 (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, 1073-1073 (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, 4581-4584 (1983).

 

9.      Electron Density to Electron Momentum Density : The use of an Energy Constraint

* S. R. Gadre, S. P. Gejji and R. K. Pathak

Physical Review A27, 3328-3331 (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, 462-463 (1983).

 

11.    Gradient-free Representation of the Weizsaecker term for Atoms.

* R. K. Pathak and S. R. Gadre

Physical Review A28, 1808-1809 (1983).

 

12.    An Upper Bound to the Exchange Integral for Coulomb Interactions

* R. K. Pathak

Journal of Chemical Physics 80, 583-584 (1984).

 

13.    Bound Excited States within Density Functional Formalism: The Levy functional.

* R. K.Pathak

Physical Review A29, 978-979 (1984).

 

14.    From Molecular Electron Density to Electron Momentum Density

* R. K. Pathak, S. P. Gejji and S. R. Gadre

Physical Review A29, 3402- 3405 (1984).

 

15.    Statistical Electron Angular Correlation Coefficients within the Hohenberg - Kohn - Sham Theory, for Atomic Systems

* R. K. Pathak

Physical Review A31, 2806-2809 (1985).

 

16.    Relationships among the Terms in the Gradient Expansion of the and Exchange- Correlation Energy Functionals. II

* R.K. Pathak and L.J. Bartolotti

Physical Review A31, 3557-3564 (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, 958-962 (1986).

 

18.  Fourth- Order Gradient Expansion of the Fermion Kinetic Energy: Extra Terms for Non-Analytic Densities

* J. P. Perdew, V. Sahni, M. Harbola and R.K. Pathak

Physical Review- B-34, 686-691 (1986).

 

19.  Very Short-range Interatiomic Potentials

* R. K. Pathak and A. J. Thakkar

Journal of Chemical Physics 87, 2186-2190 (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, 2491 2494 (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).

 

22.  Bounds to Electron-Repulsion Integrals (Invited Article)

* S. R. Gadre and R. K. Pathak

Proceedings of The Academy of Sciences-I Vol.100, pp483-508 (1988).

 

23.  Developments of Links between Electron Densities in Complementary Spaces

* R. K. Pathak and S. R. Gadre Portugalea Fisica Vol.19, pp 407-408 (1988).

 

24.  Rigorous Bounds to Molecular Electron Repulsion and Electrostatic Potential

* S. R. Gadre, S.A. Kulkarni and R. K. Pathak

Journal of Chemical Physics, 91, 3596-3602 (1989).

 

25. Reduced First-order Density Matrices and Exchange-only Correlation-Factors for some Closed-shell

Atomic Systems

* S. R. Gadre, S.A. Kulkarni and R.K. Pathak

Physical Review B41, 4749-4751 (1989).

 

26. Critical Indices for High Tc Superconductors

* R. K. Pathak and P. V.Panat

Physical Review- B41, 4749-4751 (1990).

 

27. Atomic and Molecular Diamagnetic Susceptibilities from Compton Scattering Data

* S. R. Gadre and R.K. Pathak

Physical Review-A92, 4327-4330 (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, 2622-2626 (1990). 

29. Maximal and Minimal Characteristics of Molecular Electrostatic

Potentials

* R. K. Pathak and S. R. Gadre

Journal of Chemical Physics, 93, 1770-1773 (1990). 

 29.  Non-occurrence of Non-nuclear Strict Maxima in Molecular Electrostatic Potentials

(Invited Article)

* S. R. Gadre and R.K. Pathak

Proceedings of the Academy of Sciences-I, Vol.102,

pp.189-192 (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, 8639-8639 (1991).

 

32 . Bounds to Atomic and Molecular Energy Functionals

* S. R. Gadre and R. K. Pathak

Advances in Quantum Chemistry, Vol.22, pp.211-300 (Academic Press,

U.S.A., 1991).

 

33. Topographical View of Molecular Electron Momentum Density

* S. A. Kulkarni, S. R. Gadre and R.K. Pathak

Physical Review-A42, 4399-4406 (1992).

34. Density-based Molecular Electron Localization Functions

* S. R. Gadre, S. A. Kulkarni and R. K. Pathak

Journal of Chemical Physics, 98, 3574-3576 (1993).

 

35. Leading Corrections to the Atomic Impulse-approximation Comption Profiles: A Density Functional

Approach

* R. K. Pathak, A. Kshirsagar, R. Hoffmeyer and A. J. Thakkar

Physical Review-A48, 2946-2951 (1993).

36. A necessary Condition for Atom-Positron Bound State

* R. K. Pathak

Physical Review-A50, 2191-2196 (1994).

 

37. Positron Binding: A Positron-Density Viewpoint

* T. Baruah, R.R. Zope, A. Kshirsagar and R. K. Pathak

Physical Review- A50, 2191-2196 (1994).

 

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 555-559 (1995).

 

39. Indirect path method: Accurate total atomic energies

* M. K. Harbola, R. R. Zope and R. K. Pathak

Physical Review A53, 3652-3656 (1996).

 

40.  Density-Functional approach to positron-neutral atom bound states

* T. Baruah, R. K. Pathak, A. Kshirsagar

Physical Review A55, 1518-1521 (1997).

 

41. Atomic Compton Profiles Within different "exchange-only" theories

* R. R. Zope, M. K. Harbola and R. K. Pathak

European Physical Journal D7, 151-155 (1999).

 

42. Ab initio Studies of anionic water pentamer clusters

* S. A. Kulkarni, L. J. Bartolotti and R. K. Pathak

Journal of Chemical Physics 113, 2697-2700 (2000).

 

43. Ab initio investigations on neutral clusters of ammonia: (NH3)n (n=2-6)

* S. A. Kulkarni and R. K. Pathak

Chemical Physics Letters 336, 278-283 (2001).

44. Ab initio investigations on neutral Hydrogen Peroxide clusters: (H2O2)n (n=2,4)

* S. A. Kulkarni, L. J. Bartolotti and R. K. Pathak

Chemical Physics Letters 372, 620-626 (2003).

 

45.  Structures, energetics and vibrational Spectra of (H2O2)(H2O2)n n = 1-6 : Ab initio quantum chemical investigations

*A.D. Kulkarni, R.K. Pathak and L.J. Bartolotti

Journal of Physical Chemistry (American Chemical Society)

109, 4583-4590 (2005).

 

46. Momentum-space properties from Co-ordinate-space electron density

*M.K. Harbola, R.R. Zope, A. Kshirsagar and R. K. Pathak

Journal of Chemical Physics 122, 204110 (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, 214309(1-7) (2006).

48. Interaction of peroxyformic acid with water molecules: A first-principles study

* A.D. Kulkarni, D. Rai, L.J. Bartolotti, and R.K. Pathak

Journal of Physical Chemistry A 110 (42), 11855 -11861 (2006).

 

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), 9111 -9121, 2007).

 

50. The Methyl-hydroperoxide dimer: a Novel Molecular Cluster

* A.D. Kulkarni, D. Rai, L.J. Bartolotti and R.K. Pathak

Journal of Molecular Physics THEOCHEM 824, 32-38 (2007).

 

51. Water clusters (H2O)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, 034310, (2008).

 

52. Is high Electric Field capable of inducing a covalent-like bonding between Polar and Non-polar Molecular Species?

* D. Rai, A. D. Kulkarni, S. P. Gejji, and R. K. Pathak

Accounts of Theoretical Chemistry : Chemical Physics (Springer)  123, 501-511 (2009) .

 

53. Microsolvarion of Methyl Hydrogen Peroxide: Ab Initio Quantum Chemical Approach

* A. D. Kulkarni, D. Rai, R. K. Pathak, and L.J. Bartolotti

Journal of Chemical Physics:  131(5), 054310 (2009) .

 

54. Methanol |n clusters n=3-6 in External Electric Fields: Density Functional Approach

* D.Rai, A.D. Kulkarni, S.P. Gejji and R.K. Pathak

Journal of Chemical Physics:  135(2), 024307 (2011) .

 

55. Strusturing and Destructuring Effects Along a Pathway towards Formation of Zwitterionic Glycine...Water|2 Complex: many Body Analysis of Clusters and Molecular Electrostatic Potential Investigations

* A.D. Kulkarni, D.Rai, S.P. Gejji, L.J. Bartolotti and R.K. Pathak

International Journal of Quantum Chemistry (Wiley)  113, 1325-1332 (2013) .

 

56. Exploring Electric Field Induced Structural Evolution of Water Clusters (H2O)_n [n=9-20]: Density Functional Approach

* D. Rai, A.D. Kulkarni, S.P. Gejji, L.J. Bartolotti and R.K. Pathak

Journal of Chemical Physics  138, 044304 (2013) .

 

57. Water Clusters (H2O)_n [n=9-20]: in external electric fields: Exotic O-H Stretching Frequencoes near Breakdown

* L. J. Bartolotti, D. Rai, A.D. Kulkarni, S.P. Gejji, and R.K. Pathak

Computational and Theoretical Chemistry (Elsevier)  Accepted for Publication.  (2014)Ms. No. COMPTC-D-14-0040-R1 .

 

58. PT Spectroscopy of the Rabi problem

* Y.N. Joglekar, R.S. Marathe, P.Durganandini and R.K. Pathak

Physical Review-A (Rapid Communication)  Accepted for Publication.  .

 

59. Methanol-water clusters in external electric fields

* N.D. Gurav, A.D. Kulkarni, S.P. Gejji and R.K. Pathak

Journal of Chemical Physics  142, 214309 (2015).   .

 

60. Exactly solvable PT-symmetric Models in two dimensions

* K.S. Agarwal, Y.N. Joglekar and R.K. Pathak

Europhysics Latters (a European Physical Society publication)  Accepted for Publication.  .

 

61. Encaged Molecules in external electric fields: a molecular 'tug of war'

* N.D. Gurav, S.P. Gejji, L.J. Bartolotti and R.K. Pathak

Journal of Chemical Physics: Accepted for publication. (Manuscript Number: A16.06.0064R) (2016)  Accepted for Publication.  .

 

 

 

II. Research Papers Communicated / Under preparation

 

* Exotic Molecular Cluster formation in External Electric fields; Zwitterionic clusters and their hydration; Coordinate-free derivation of transformation of the Electromagnetic Field under pure Lorentz velocity-boosts in special relativity; Methyl alcohol clusters interacting with external electric fields.

 

 

III. Book Project: Have been engaged in co-authoring a book entitled

Inequalities in Atomic and Molecular Physics by S. R. Gadre, S. Pal and R. K. Pathak

 

 

IV. Studies in progress:

        

         Hydration of Methyl Hydroperoxide;

         Exact Exchange-Correlation within density functional theory exclusively the coordinate electron density;

         Momentum-space signature of an external electric field applied to a cluster.

 

 

 

Updated on 2009 JULY 03