Centre for Modeling and Simulation
Savitribai Phule Pune University All Models Are False, Some Are Useful

Publication list
  1. "Defect studies in small CdTe clusters".
    Somesh Kr Bhattacharya and Anjali Kshirsagar
    Eur. Phys. J. D 61, 609 (2011).

  2. "Quantum Confinement in CdTe Quantum Dots: Investigation through Cyclic Voltammetry Supported by Density Functional Theory (DFT) ".
    Santosh K. Haram, Anjali Kshirsagar, Yogini D. Gujarathi, Pravin P. Ingole, Omkar A. Nene, Ganesh B. Markad and Sachin P. Nanavati
    J. Phys. Chem. C 115, 6243 (2011).

  3. "Doped Cage-like Structure of Cd9S9".
    Prajakta Deodhar and Anjali Kshirsagar
    AIP Conference Proceedings 1276, 425 (2010).

  4. "Transferable orthogonal tight-binding parameters for ZnS and CdS".
    Somesh Kr Bhattacharya, Prajakta A. Deodhar, Ranjani Viswanatha and Anjali Kshirsagar
    J. Phys.: Condens. Matter 22, 295304 (2010).
  5. "ECR plasma assisted deposition of zinc nanowires".
    V.S. Purohit, S. Dey, Somesh Kr. Bhattacharya, Anjali Kshirsagar, C.V. Dharmadhikari and S.V. Bhoraskar
    Nucl. Inst. Methods in Phys. Res. B 266, 4980 (2008).

  6. "Electronic structure of GaN codoped with Mn and Cr".
    Nandan Tandon, G.P. Das, and Anjali Kshirsagar
    Phys. Rev. B 77, 205206 (2008).

  7. "Passivation of CdTe clusters : A first principle study".
    Somesh K. Bhattacharya and Anjali Kshirsagar
    Eur. Phys. J. D 48, 355 (2008).

  8. "How cationic gold clusters respond to a single sulfur atom".
    Hagos W.Ghebriel and Anjali Kshirsagar
    J. Chem. Phys. 127, 224708 (2007).

  9. "Empirical pseudo-potential studies on electronic structure of semiconducting quantum dots ".
    Anjali Kshirsagar and Neelesh Kumbhojkar
    Bull. Mater. Sc. 31, 297 (2008); Special issue on Nanoscience and Nanotechnology.

  10. "Adsorption of molecular hydrogen and hydrogen sulphide on Au clusters".
    Hagos W.Ghebriel and Anjali Kshirsagar
    J. Chem. Phys. 126, 244705 (2007).

  11. "Ab initio calculations of the structural and electronic properties of CdTe clusters".
    Somesh K. Bhattacharya and Anjali Kshirsagar
    Phys. Rev. B 75, 035402 (2007).


  12. "Electronic structure of diluted magnetic semiconductor Ga1-xMnxN and Ga1-xCrxN".
    Nandan Tandon, G.P. Das, and Anjali Kshirsagar
    J. Phys. : Condens. Matter 18, 9245 (2006).

  13. "Momentum-space properties from coordinate-space electron density".
    Manoj K. Harbola, Rajendra R. Zope, Anjali Kshirsagar and Rajeev K. Pathak
    J. Chem. Phys. 122, 204110 (2005).

  14. "Optical properties of II-VI semiconducting quantum dots".
    Neelesh Kumbhojkar and Anjali Kshirsagar
    In a book Science and Technology of Nanostructured Materials, written by B.K. Rao, S.M. Bose, M.P. Das and S.N. Sahu (Nova Publishers 2001).

  15. "Full-potential LAPW calculation of electron momentum distribution of ferromagnetic Ni".
    Tunna Baruah, Rajendra R. Zope and Anjali Kshirsagar
    Phys. Rev. B 62, 16435 (2000).

  16. "Photophysical properties of ZnS nanocrystal".
    Neelesh Kumbhojkar, V.V. Nikesh, Anjali Kshirsagar and Shailaja Mahamuni
    J. Appl. Phys. 88, 6260 (2000).

  17. "Full-potential LAPW calculations of electron momentum density and related properties of Li".
    Tunna Baruah, Rajendra R. Zope and Anjali Kshirsagar
    Phys. Rev. B 60, 10770 (1999).

  18. "Density functional approach to one positron and neutral atom bound state".
    Tunna Baruah, Rajeev K. Pathak and Anjali Kshirsagar
    Phys. Rev. A 55, 1518 (1997).

  19. "Evidence of size independent electronic structure : BaO particles in nanosize regime".
    Shailaja Mahamuni, B.S. Bendre, Tunna Baruah, Anjali Kshirsagar, S.S. Joshi, A.G. Bedekar, S.F. Patil, P. Singh, K. Maiti and D.D. Sarma
    NanoStructured Materials 7, 557 (1996).

  20. "Leading corrections to the Compton profiles beyond the impulse approximation : second-order correction".
    Rajendra R. Zope, Anjali Kshirsagar and Rajeev K. Pathak
    Chem. Phys. Lett. 242, 555 (1995).

  21. "Positron binding : A positron density viewpoint".
    Tunna Baruah, Rajendra R. Zope, Anjali Kshirsagar and Rajeev K. Pathak
    Phys. Rev. A 50, 2192 (1994).

  22. "Leading corrections to atomic impulse-approximation Compton profiles : A density functional approach".
    Rajeev K. Pathak, Anjali Kshirsagar, Ruth Hoffmeyer and Ajit J. Thakkar
    Phys. Rev. A 48, 2946 (1993).

  23. "Thiophenol-capped ZnS quantum dots".
    Shailaja Mahamuni, Ali Azam Khosravi, Manisha Kundu, Anjali Kshirsagar, Anjali Bedekar, D.B. Avasare, Prabhat Singh and S.K. Kulkarni
    J. Appl. Phys. 73, 5237 (1993).

  24. "Present status of the Compton profile calculation in transition metals".
    V. Sundararajan, Anjali Kshirsagar and D. G. Kanhere in Positron Annihilation and Compton Scattering ed. B. K. Sharma, P. C. Jain and R.M. Singru (Omega Scientific Pub., 1990).

  25. "Two-component density functional theory of positron binding to negative ions".
    D.G. Kanhere, Anjali Kshirsagar and Vasudha Bhamre Chem. Phys. Lett. 160, 526 (1989).

  26. "Fourier transform of momentum density in Pd and PdH".
    Anjali Kshirsagar, D.G. Kanhere and R.M. Singru
    in Positron Annihilation ed. L. Dorikens-Vanpraet, M. Dorikens and D. Segers (World Scientific Co., 1989), p. 236.

  27. "Compton profile of Palladium".
    B.K. Sharma, Anil Gupta, Hanuman Singh, S. Perkkiö;, Anjali Kshirsagar and D.G. Kanhere
    Phys. Rev. B 37, 6821 (1988).

  28. "Two photon momentum density and angular correlation of positron annihilation radiation in Pd and PdH".
    Anjali Kshirsagar, D.G. Kanhere and R.M. Singru
    Phys. Rev. B 34, 853 (1986).

  29. "Calculation of 1D- and 2D-angular correlation curves in Pd and PdH".
    Anjali Harmalkar, D.G. Kanhere and R.M. Singru
    in Positron Annihilation ed. P.C. Jain,
    R.M. Singru and K.P. Gopinathan, (World Scientific Co., 1985), p. 294.

  30. "Electron momentum distribution in Pd and PdH".
    Anjali Harmalkar, D.G. Kanhere and R.M. Singru
    Phys. Rev. B 31, 6415 (1985).

  31. "Momentum space properties of atoms".
    Anjali Harmalkar, Alfredo M. Simas, Vedene H. Smith, Jr. and William M. Westgate
    Int. J. Quantum Chem. vol. XXIII, 811 (1983).

  32. "Compton profiles for neon and argon from X∝wavefunctions".
    Anjali Harmalkar, P.V. Panat and D.G. Kanhere
    J. Phys. B 13, 3075 (1980).


Apart from these, I have given several invited talks and our group has presented papers, based on the research work
being carried out in my group, in various conferences, workshops and symposia, at both national and international levels.



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