(i) Research papers published in full

2012 (till September 2012):

1. First-principles study of CaCu3B4O12 (B=Co, Rh, Ir)
   Swarnakamal Mukherjee, Soumyajit Sarkar and T. Saha-Dasgupta
   Journal of Materials Science , 47, (2012)
2. Interplay of localized and itinerant character of Ru ions: Tl2Ru2O7 versus Hg2Ru2O7
   Santu Baidya, Soumyajit Sarkar, T. Saha-Dasgupta, and D. D. Sarma
   Phys. Rev. B 86, 125117 (2012)
3. Effects of shape and composition on the properties of CdS nanocrystals
   Soumendu Datta, Mukul Kabir, and Tanusri Saha-Dasgupta
   Phys. Rev. B 86, 115307 (2012)
4. Signature of an antiferromagnetic metallic ground state in heavily electron-doped Sr2FeMoO6
   Somnath Jana, Carlo Meneghini, Prabuddha Sanyal, Soumyajit Sarkar, Tanusri Saha-Dasgupta, Olof Karis, and Sugata Ray
   Phys. Rev. B 86, 054433 (2012)
5. Pressure and Temperature Control of Spin-Switchable Metal-Organic Coordination Polymers from Ab Initio Calculations
   K. Tarafder, S. Kanungo, P. M. Oppeneer, and T. Saha-Dasgupta
   Phys. Rev. Lett. 109, 077203 (2012)
6. First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni)
   Hena Das, Sudipta Kanungo, and T. Saha-Dasgupta
   Phys. Rev. B 86, 054422 (2012)
7. Multiferroic FeTe2O5Br: Alternating spin chains with frustrated interchain interactions
   M. Pregelj, H. O. Jeschke, H. Feldner, R. Valentí, A. Honecker, T. Saha-Dasgupta, H. Das, S. Yoshii, T. Morioka, H. Nojiri, H. Berger, A. Zorko, O. Zaharko, and D. Arčon
   Phys. Rev. B 86, 054402 (2012)
8. Effect of A cation on magnetic properties of double perovskite compounds: From ferromagnetic Ca2CrSbO6 to antiferromagnetic Sr2CrSbO6
   Santu Baidya and T. Saha-Dasgupta
   Phys. Rev. B 86, 024440 (2012)
9. Magnetic properties of PdAs2O6: A dilute spin system with an unusually high Néel temperature
   M. Reehuis, T. Saha-Dasgupta, D. Orosel, J. Nuss, B. Rahaman, B. Keimer, O. K. Andersen, and M. Jansen,
   Phys. Rev. B 85, 115118 (2012).
10. Das et al. Reply
    Hena Das, G. Sangiovanni, A. Valli, K. Held, and T. Saha-Dasgupta,
    Phys. Rev. Lett. 108, 129702 (2012).
11. Visualizing frozen point defect tracks in Fe-containing olivines
    S. Chatterjee, T. Saha-Dasgupta and S. Sengupta
    Euro Phys. Lett 98, 29001 (2012).




2011:

12. Orbital ordering in FeV2O4: Spinel with two orbitally active sites
    Soumyajit Sarkar and T. Saha-Dasgupta
    Phys. Rev. B 84, 235112 (2011)
13. Electronic and magnetic structures of bilayer La3Ni2O6 and trilayer La4Ni3O8 nickelates from first principles
    Soumyajit Sarkar, I. Dasgupta, Martha Greenblatt, and T. Saha-Dasgupta
    Phys. Rev. B (Rapid Commun) 84, 180411 (2011)
14. Substantial reduction of Stone-Wales activation barrier in fullerene
    Mukul Kabir, Swarnakamal Mukherjee, and Tanusri Saha-Dasgupta
    Phys. Rev. B 84, 205404 (2011)
15. Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3
    Hena Das, G. Sangiovanni, A. Valli, K. Held, and T. Saha-Dasgupta
    Phys. Rev. Lett. 107, 197202 (2011)
16. First-principles study of organic-inorganic hybrid framework compound Mn(C4H4O4)
    Sudipta Kanungo and T. Saha-Dasgupta
    Phys. Rev. B 84, 134415 (2011)
17. Mechanism of ferroelectricity in d3 perovskites: A model study
    Paolo Barone, Sudipta Kanungo, Silvia Picozzi, and Tanusri Saha-Dasgupta
    Phys. Rev. B 84, 134101 (2011)
18. A First Principles Density Functional Investigation of Ligand-Protected Eight Atom Gold nanoclusters
    Jaita Paul, Swarnakamal Mukherjee, Tanusri Saha-Dasgupta
    AIP Advances 1, 032150 (2011)
19. Spin-crossover in cyanide-based bimetallic coordination polymers—insight from first-principles calculations
    Soumyajit Sarkar, Kartick Tarafder, Peter M. Oppeneer and Tanusri Saha-Dasgupta
    J. Mater. Chem. 21, 13685 (2011)
20. Electronic and magnetic structure of the mixed-valence cobaltite CaBaCo4O7
    S. Chatterjee and T. Saha-Dasgupta
    Phys. Rev. B 84, 085116 (2011)
21. Understanding neutron scattering data in YMn2O5: An effective spin Hamiltonian
    Santu Baidya, Prabuddha Sanyal, Hena Das, Bertrand Roessli, Tapan Chatterji, and T. Saha-Dasgupta
    Phys. Rev. B 84, 054444 (2011)
22. Ab initio study of structural stability of small 3d late transition  metal clusters: Interplay of magnetization and hybridization
    Soumendu Datta, Mukul Kabir, and Tanusri Saha-Dasgupta
    Phys. Rev. B 84, 075429 (2011)
23. Electronic structure and phonons in La2CoMnO6: A ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling
    Santu Baidya and T. Saha-Dasgupta
    Phys. Rev. B 84, 035131 (2011)
24. Multistep Approach to Microscopic Models for Frustrated Quantum Magnets: The Case of the Natural Mineral Azurite
    Harald Jeschke, Ingo Opahle, Hem Kandpal, Roser Valentí, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Brühl, Bernd Wolf, Michael Lang, Johannes Richter, Shijie Hu, Xiaoqun Wang, Robert Peters, Thomas Pruschke, and Andreas Honecker
    Phys. Rev. Lett. 106, 217201 (2011)
25. Pressure-driven changes in electronic structure of BiCoO3
    Sudipta Kanungo and T. Saha- Dasgupta
    Phys. Rev. B 83, 104104 (2011)
26. Origin of magnetism and trend in Tc in Cr-based double perovskites: Interplay of two driving mechanisms
    Hena Das, Prabuddha Sanyal, T. Saha- Dasgupta, and D. D. Sarma
    Phys. Rev. B 83, 104418 (2011)
27. Piezoelectric by Design: A route through short-period perovskite superlattices
    Hena Das, U. Waghmare and T. Saha-Dasgupta
    J. Appl. Phys. (Communication) 109, 066107 (2011)
28. LDA+DMFT study of Ru-based perovskite SrRuO3 and CaRuO3
    E. Jakobi, S. Kanungo, S. Sarkar, S. Schmitt, and T. Saha-Dasgupta
    Phys. Rev. B (Rapid Commun) 83, 041103 (2011)
29. Engineering the magnetic properties of the Mn13 cluster by doping
    Soumendu Datta, Mukul Kabir, Abhijit Mookerjee, and Tanusri Saha-Dasgupta
    Phys. Rev. B 83, 075425 (2011)




2010:

30. Crossover of cation partitioning in olivines: a combination of ab initio and Monte Carlo study
    Swastika Chatterjee, Sirshendu Bhattacharyya, Surajit Sengupta and T. Saha-Dasgupta
    Phys. Chem Minerals, DOI: 10.1007/s00269-010-0401-4 (2010)
31. A microscopic view on the Mott transition in chromium-doped V2O3
    S. Lupi, L. Baldassarre, B. Mansart, A. Perucchi, A. Barinov, P. Dudin, E. Papalazarou, F. Rodolakis, J. Rueff, J . Itie, S. Ravy, D. Nicoletti, P. Postorino, P. Hansmann, N. Parragh, A. Toschi, T. Saha-Dasgupta, O.K. Andersen, G. Sangiovanni, K. Held, K, M. Marsi
    Nature Comm, 1, 105 (2010)
32. Ab initio study of low-dimensional quantum spin systems Sr3NiPtO6, Sr3CuPtO6, and Sr3NiIrO6
    Soumyajit Sarkar, Sudipta Kanungo, and T. Saha-Dasgupta
    Phys. Rev. B 82, 235122 (2010)
33. Evidence of active role played by the nonmagnetic element Sr in magnetostructural coupling in SrRuO3
    Debdutta Lahiri, T. Shibata, S. Chattopadhyay, Sudipta Kanungo, T. Saha-Dasgupta, R. S. Singh, Surinder M. Sharma, and Kalobaran Maiti
    Phys. Rev. B 82, 094440 (2010)
34. Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site
    S. Sarkar, T. Maitra, Roser Valentí, and T. Saha-Dasgupta
    Phys. Rev. B (Rapid Comm) 82, 041105 (2010)
35. Cooperative orbital ordering and Peierls instability in the checkerboard lattice with doubly degenerate orbitals
    R. T. Clay, H. Li, S. Sarkar, S. Mazumdar, and T. Saha-Dasgupta
    Phys. Rev. B 82, 035108 (2010)
36. Chemical control of polar behavior in bicomponent short-period superlattices
    Hena Das, Nicola A. Spaldin, Umesh V. Waghmare, and T. Saha-Dasgupta
    Phys. Rev. B 81, 235112 (2010)
37. First-principles simulations of structural, electronic, and magnetic properties of vacancy-bearing Fe silicates
    Swastika Chatterjee and Tanusri Saha-Dasgupta
    Phys. Rev. B 81, 155105 (2010)
38. Ab initio augmented space recursion to study complex multicomponent materials: Application to the pseudo-binary alloy Ni1-xPtxAl
    Aftab Alam, T. Saha-Dasgupta and A. Mookerjee
    Phys. Rev. B 81, 054201 (2010)
39. Inequivalent Routes across the Mott Transition in V2O3 Explored by X-Ray Absorption
    F. Rodolakis, P. Hansmann, J.-P. Rueff, A. Toschi, M. W. Haverkort, G. Sangiovanni, A. Tanaka, T. Saha-Dasgupta}, O. K. Andersen, K. Held, M. Sikora, I. Alliot, J.-P. Itié, F. Baudelet, P. Wzietek, P. Metcalf, and M. Marsi
    Phys. Rev. Lett. 104, 047401 (2010)




2009:

40. Evidence of kinetic-energy-driven antiferromagnetism in double perovskites: A first-principles study of La-doped Sr2FeMoO6
    Prabuddha Sanyal, Hena Das, and T. Saha-Dasgupta
    Phys. Rev. B 80, 224412 (2009)
41. Electronic structure of FeCr2S4 : Evidence of Coulomb enhanced spin-orbit splitting
    Soumyajit Sarkar, Molly De Raychaudhury, I. Dasgupta, and T. Saha-Dasgupta
    Phys. Rev. B 80, 201101 Rapid Commun. (2009)
42. Electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl: A multiorbital Mott insulator
    S. Glawion, M. R. Scholz, Y.-Z. Zhang, R. Valentí, T. Saha-Dasgupta, M. Klemm, J. Hemberger, S. Horn, M. Sing, and R. Claessen
    Phys. Rev. B 80, 155119 (2009)
43. Momentum-resolved single-particle spectral function for TiOCl from a combination of density functional and variational cluster calculations
    M. Aichhorn, T. Saha-Dasgupta, R. Valentí, S. Glawion, M. Sing, and R. Claessen
    Phys. Rev. B 80, 115129 (2009)
44. Structure, reactivity, and electronic properties of V-doped Co clusters
    Soumendu Datta, Mukul Kabir, Tanusri Saha-Dasgupta, and Abhijit Mookerjee
    Phys. Rev. B 80, 085418 (2009)
45. Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles
    S. Datta, M. Kabir, T. Saha-Dasgupta and DD Sarma
    J. NanoSci and Nano Tech. 9, 5489 (2009)
46. Effects of chemical pressure on the Fermi surface and band dispersion of the electron-doped high-Tc superconductors
    M. Ikeda, T. Yoshida, A. Fujimori, M. Kubota, K. Ono, Hena Das, T. Saha-Dasgupta, K. Unozawa, Y. Kaga, T. Sasagawa, H. Takagi
    Phys. Rev. B 80, 014510 (2009)
47. Proposed Orbital Ordering in MnV2O4 from First-Principles Calculations
    S. Sarkar, T. Maitra, Roser Valentí, and T. Saha-Dasgupta
    Phys. Rev. Lett. 102, 216405 (2009)
48. Electronic structure of La2CuO4 in the T and T′ crystal structures using dynamical mean field theory
    Hena Das and Tanusri Saha-Dasgupta
    Phys. Rev. B 79, 134522 (2009)
49. Theoretical evidence and chemical origin of the magnetism-dependent electrostructural coupling in La2NiMnO6
    Hena Das, Umesh V. Waghmare, T. Saha-Dasgupta, and D. D. Sarma
    Phys. Rev. B 79, 144403 (2009)
50. Site preference of Fe atoms in FeMgSiO4 and FeMg(SiO3)2 studied by density functional calculations
    Swastika Chatterjee, Surajit Sengupta, Tanusri Saha-Dasgupta, Kaustav Chatterjee and Nibir Mandal
    Phys. Rev B 79, 115103 (2009)
51. Density Functional Study of the Electronic and Optical Properties of the spinel compound CuIr2S4
    Soumyajit Sarkar, Molly De-Raychaudhury, Tanusri Saha-Dasgupta
    Phys. Rev. B 79, 113104 (2009)
52. A local-density approximation for the exchange energy functional for the excited states:
    the band-gap problem
    M. Rahaman, S. Ganguly, P. Samal, M.K. Harbola, T. Saha-Dasgupta, A. Mookerjee
    Physica B: Condes. Matt 404, 1137 (2009)




2008:

53. Recursive approach to study transport properties of atomic wire
    S. Datta, T. Saha-Dasgupta, A. Mookerjee
    Euro. Phys. B 66, 57 (2008)
54. Structural and magnetic aspects of the nanotube system Na2−xV3O7
    O. Zaharko, J. L. Gavilano, Th. Strssle, C. F. Miclea, A. C. Mota, Y. Filinchuk, D.
    Chernyshov, P. P. Deen, B. Rahaman, T. Saha-Dasgupta, R. Valenti, Y. Matsushita, A.
    Dnni, and H. Kitazawa
    Phys. Rev. B 78, 214426 (2008)
55. Proposed low-energy model Hamiltonian for the spin-gapped system CuTe2O5
    Hena Das, Tanusri Saha-Dasgupta, Claudius Gros, and Roser Valent
    Phys. Rev. B 77, 224437 (2008) [Editor’s suggestion]
56. Combined density functional and dynamical cluster quantum Monte Carlo calculations of
    the three-band Hubbard model for hole-doped cuprate superconductors
    P. R. C. Kent, T. Saha-Dasgupta, O. Jepsen, O. K. Andersen, A. Macridin, T. A. Maier,
    M. Jarrell, and T. C. Schulthess
    Phys. Rev. B 78, 035132 (2008)
57. Wannier function study of the relative stability of zinc-blende and wurtzite structures in
    the CdX (X = S, Se, Te) series
    Soumendu Datta, Tanusri Saha-Dasgupta and D D Sarma
    J. Phys.: Condens. Matter 20 445217 (2008)
58. Moderate to Large magneto-optical Signals in High Tc Double perovskites
    Hena Das, Molly De-Raychaudhury, T. Saha-Dasgupta
    Appl. Phys. Lett. 92, 201912 (2008)
59. Electronic structure, phonons and dielectric anomaly in ferromagnetic insulating doubleperovskite La2NiMnO6
    Hena Das, Umesh V. Waghmare, T. Saha-Dasgupta and D. D. Sarma
    Phys. Rev. Lett. 100, 186402 (2008)
60. Ab initio study of optical properties and magneto-optical Kerr effect in the pyrite compound CoS2
    Swarup Saha, Molly De Raychaudhury, and T. Saha-Dasgupta
    Phys. Rev. B 77, 155428 (2008)
61. First principle study of structural stability and electronic structure of CdS nanoclusters
    S. Datta, M. Kabir, T. Saha-Dasgupta, D. D. Sarma
    J. Phys. Chem. C 112, 8206 (2008)
62. Color properties of the model spin chain materials VOHPO4.1/2H2O and (VO)2P2O7 : Spectroscopy and electronic structure calculations J. Cao, J. L. Musfeldt, D. J. Singh, B. Rahaman, T. Saha-Dasgupta, C. C. Torardi, B.C. Sales, H. M. Christen, and O. Swader
    Phys. Rev. B 77, 165111 (2008)




2007:

63. Cluster dynamical mean-field calculations for TiOCl
    T Saha-Dasgupta, A Lichtenstein, M Hoinkis, S Glawion, M Sing, R Claessen and R Valent
    New J. Phys. 9, 380 (2007)
64. Microscopic modeling of a spin crossover transition
    Harald O Jeschke, L Andrea Salguero, Badiur Rahaman, Christian Buchsbaum, Volodymyr
    Pashchenko, Martin U Schmidt, Tanusri Saha-Dasgupta and Roser Valent
    New J. Phys. 9 448 (2007)
65. Ferromagnetism in metallic chalcospinels CuCr2S4 and CuCr2Se4
    T. Saha-Dasgupta, Molly De Raychaudhury, and D. D. Sarma
    Phys. Rev. B 76, 054441 (2007)
66. Electronic structures and low-dimensional magnetic properties of the ordered rocksalt oxides Na3Cu2SbO6 and Na2Cu2TeO6
    Shahab Derakhshan, Heather L. Cuthbert, John E. Greedan, Badiur Rahaman, and Tanusri Saha-Dasgupta
    Phys. Rev. B 76, 104403 (2007)
67. Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V2O3
    Alexander I. Poteryaev, Jan M. Tomczak, Silke Biermann, Antoine Georges, Alexander I. Lichtenstein, Alexey N. Rubtsov,Tanusri Saha-Dasgupta, and Ole K. Andersen
    Phys. Rev. B 76, 085127 (2007)
68. Effects of Two Energy Scales in Weakly Dimerized Antiferromagnetic Quantum Spin Chains
    A. Brhl, B. Wolf, V. Pashchenko, M. Anton, C. Gross, W. Assmus, R. Valenti, S. Glocke, A. Klmper, T. Saha-Dasgupta, B. Rahaman, and M. Lang
    Phys. Rev. Lett. 99, 057204 (2007)
69. Structure, bonding, and magnetism of cobalt clusters from first-principles calculations
    S. Datta, M. Kabir, S. Ganguly, B. Sanyal, T. Saha-Dasgupta, and A. Mookerjee Phys.
    Rev. B 76, 014429 (2007)
70. Electronic structure and microscopic model of V2GeO4F2 - a quantum spin system with S = 1
    Badiur Rahaman and T Saha-Dasgupta
    J. Phys.: Condens. Matter 19, 296206 (2007)
71. Electronic structure and phase stability of disordered hexagonal close-packed alloys
    Aftab Alam, T. Saha-Dasgupta, A. Mookerjee, A. Chakrabarti, and G. P. Das
    Phys. Rev. B 75, 134203 (2007)
72. Theoretical study of doped Tl2Mn2O7 and Tl2Mn2O7 under pressure
    Molly De Raychaudhury, T. Saha-Dasgupta, and D. D. Sarma
    Phys. Rev. B 75, 014443 (2007)
73. Microscopic model for the frustrated Cu II -spin tetrahedron-based Cu4Te5O12X4 ( X=Cl , Br) systems
    Badiur Rahaman, Harald O. Jeschke, Roser Valent, and T. Saha-Dasgupta
    Phys. Rev. B 75, 024404 (2007)
74. Cu-based organometallic systems: an ab initio study of the electronic and magnetic properties
    L. A. Salguero, H. O. Jeschke, B. Rahaman, T. Saha-Dasgupta, Ch. Buchsbaum, M. U. Schmidt, R. Valenti
    New J. Phys. 9 , 26 (2007)
75. Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X = Cl, Br and Cu4Te5O12Cl4
    R. Valent, T. Saha-Dasgupta, H.O. Jeschke, B. Rahaman, H. Rosner, P. Lemmens, R. Takagi and M. Johnsson Physica C, 460-462, 462 (2007).
76. Field-induced phase transition in a metalorganic spin-dimer system–a potential model system to study BoseEinstein condensation of magnons
    Y. Tsui, A. Bruhl, K. Removic-Langer, V. Pashchenko, B. Wolf, G. Donath, A. Pikul , T. Kretz, H.-W. Lerner, M. Wagner, A. Salguero, T. Saha-Dasgupta, B. Rahaman, R. Valenti, M. Lang
    Journal of Magnetism and Magnetic Materials 310 1319 (2007).




2006:

77. Origin of Ferromagnetism and its pressure and doping dependence in Tl2Mn2O7
    T. Saha-Dasgupta, Molly De Raychaudhury and D. D. Sarma
    Phys. Rev. Lett. 96, 087205 (2006)
78. Electrical transport in deformed nanostrips: electrical signature of reversible mechanical failure
    Soumendu Datta, Debasish Chaudhuri, Tanusri Saha-Dasgupta and Surajit Sengupta
    Europhys. Lett. 73, 765 (2006)




2005:

79. Electronic structure of the spin-1/2 quantum magnet TiOCl
    M. Hoinkis, M. Sing, J. Schfer, M. Klemm, S. Horn, H. Benthien, E. Jeckelmann, T. Saha-Dasgupta, L. Pisani, R. Valent, and R. Claessen
    Phys. Rev. B 72, 125127 (2005)
80. Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach
    R. Viswanatha, S. Sapra, T. Saha-Dasgupta, and D. D. Sarma
    Phys. Rev. B 72, 045333 (2005)
81. Density functional study of the insulating ground states in CaFeO3 and La1/3Sr2/3FeO3 compounds
    T. Saha-Dasgupta, Z. S. Popovic, and S. Satpathy
    Phys. Rev. B 72, 045143 (2005)
82. Na2V3O7, a nanotubular system with spin-1/2 diamond rings
    T. Saha-Dasgupta, Roser Valenti, F. Capraro and C. Gros
    Phys. Rev. Lett. 95, 107201 (2005)
83. Correlation effects on the electronic structure of TiOCl: a NMTO+DMFT study
    T. Saha-Dasgupta, A. Lichtenstein and R. Valenti
    Phys. Rev. B 71, 153108 (2005)
84. Spin gap formation in the quantum spin systems TiOX, X=Cl and Br P. Lemmens, K.Y. Choi, R. Valenti, T. Saha-Dasgupta, E. Abel, Y.S. Lee, F.C. Chou New J. Phys. 7, 74 (2005)




2004:

85. TiOCl, an orbital-ordered system?
    T. Saha-Dasgupta, R. Valenti, H. Rosner and Claudius Gros
    Europhys. Lett. 67, 63 (2004)
86. Is the self-trapped magnetic polaron energetically stable in the electron doped manganites?
    H. Meskine, T. Saha-Dasgupta, and S. Satpathy
    Phys. Rev. Lett. 92, 056401 (2004)
87. Phase stability analysis in FePt and CoPt alloy systems: an augmented space study
    Durga Paudyal, Tanusri Saha-Dasgupta and Abhijit Mookerjee
    J. Phys.: Condens. Matter 16 7247 (2004)
88. Symmetry reduction in the augmented space recursion formalism for random binary alloys
    Kamal Krishna Saha, Tanusri Saha-Dasgupta, Abhijit Mookerjee and Indra Dasgupta
    J. Phys.: Condens. Matter 16 1409 (2004)
89. Magnetic properties of XPt (X = Fe,Co,Ni) alloy systems
    Durga Paudyal, Tanusri Saha-Dasgupta and Abhijit Mookerjee
    J. Phys.: Condens. Matter 16 2317 (2004)




2003:

90. Role of c-axis pairs in V2O3 from the band-structure point of view
    I.S.Elfimov, T.Saha-Dasgupta, M.A.Korotin
    Phys. Rev. B 68, 113105 (2003)
91. Halogen-mediated exchange in the coupled-tetrahedra quantum spin systems Cu2Te2O5X2 (X=Br,Cl)
    Roser Valenti, T. Saha-Dasgupta, Claudius Gros, H. Rosner
    Phys. Rev. B 67, 245110 (2003)
92. Ab initio investigation of VOSeO3, a spin gap system with coupled spin dimers
    Roser Valenti, T. Saha-Dasgupta, F. Mila
    Phys. Rev. B 68, 024411 (2003)
93. Wannier-like functions and tight-binding parametrization for the manganese bands in CaMnO3
    T Saha-Dasgupta and S Satpathy
    J. Phys.( Condens. Matter), 15, 1685 (2003)
94. Study of phase stability in NiPt systems
    Durga Paudyal, Tanusri Saha-Dasgupta and Abhijit Mookerjee
    J. Phys.( Condens. Matter),15, 1029 (2003)




2002:

95. Comparative study between two quantum spin systems KCuCl3 and TlCuCl3
    T. Saha-Dasgupta and R. Valenti
    Europhys. Lett 60 309 (2002)
96. Nature of insulating state in NaV2O5 above charge-ordering transition: A cluster dynamical mean-field study
    V. V. Mazurenko, A. I. Lichtenstein, M. I. Katsnelson, I. Dasgupta, T. Saha-Dasgupta, and V. I. Anisimov
    Phys. Rev. B66, Rapid Commun 081104(R) (2002)
97. Nature of the spin-singlet ground state in CaCuGe2O6
    R. Valenti, T. Saha-Dasgupta, and C. Gros
    Phys. Rev. B66, 054426 (2002)
98. Electronic and magnetic structure of CsV2O5
    R. Valenti and T. Saha-Dasgupta
    Phys. Rev. B65, 144445 (2002)




2001:

99. Ab-initio study of disorder effects on the electronic and magnetic structures of Sr2FeMoO6
    T. Saha-Dasgupta and D. D. Sarma
    Phys. Rev. B64 064408 (2001)
100. A first principles thermodynamic approach to ordering in Ni-Mo alloys
     A. Arya, G. P. Das, S. Banerjee, I. Dasgupta, T. Saha-Dasgupta, and A. Mookerjee
     Acta Metall 49 3575 (2001)
101. Band-structure trend in hole-doped cuprates and correlation with Tcmax
     E. Pavarini, I. Dasgupta, T. Saha-Dasgupta, O. Jepsen, O.K. Andersen
     Phys. Rev. Lett. 87 047003 (2001)
102. Modeling the electronic behavior of -LiV2O5: a microscopic study
     R. Valenti, T. Saha-Dasgupta, J.V. Alvarez, K. Pozgajcic, C. Gros
     Phys. Rev. Lett. 86, 5381, (2001)
103. Electronic structure of and covalency driven metal-insulator transition in BaCo1-xNixS2
     S. R. Krishnakumar, T. Saha-Dasgupta, N. Shanthi, Priya Mahadevan, and D. D. Sarma
     Phys. Rev. B 63, 045111 (2001)




2000:

104. Muffin-tin orbitals of arbitrary order
     O. K. Andersen and T. Saha-Dasgupta
     Phys. Rev. B 62, Rapid Commun, R16219 (2000)
105. Electronic Structure of Sr2FeMoO6
     D. D. Sarma, Priya Mahadevan, T. Saha-Dasgupta, Sugata Ray, and Ashwani Kumar
     Phys. Rev. Lett. 85, 2549 (2000)
106. Electronic structure and exchange interactions of the ladder vanadates CaV2O5 andMgV2O5
     M. A. Korotin, V I Anisimov, T Saha-Dasgupta and I Dasgupta
     J. Phys. (Condens. Matter) 12 113 (2000)




1999:

107. Electrical and magnetic properties of AuFe alloys.
     B Sanyal, P Biswas, T Saha-Dasgupta, A Mookerjee, A Huda, N Choudhury, M Ahmed and A Halder
     J. Phys. (Condens. Matter) 11 1833 (1999)




1998:

108. Electronic structure of Ladder Cuprates.
     T. M¨uler, V. Anisimov, T.M. Rice, I. Dasgupta, T.Saha-Dasgupta
     Phys. Rev. B57, R12655(1998)




1997:

109. Electronic structure of random ternary alloys.
     T. Saha-Dasgupta and A. Mookerjee
     J. Phys. (Condens. Matter) 9 6607 (1997)
110. Rough interfaces in fcc and bcc alloys : Influence of the order of the bulk phase transition.
     David Le Floc’h, Tanusri Saha-Dasgupta and Alphonse Finel
     Computational Materials Science 8 192 (1997)
111. Phase-segregation in PdRh system.
     Tanusri Saha-Dasgupta and Abhijit Mookerjee
     J. Phys. (Condens. Matter) 9 2179 (1997)
112. Comparison in Electronic Structure Of ordered and disordered transition metal alumunides.
     I. Dasgupta, T. Saha-Dasgupta, A. Mookerjee and G. P. Das
     J. Phys. (Condens. Matter) 9 3529 (1997)




1996:

113. Electronic structure of random binary alloys.
     Tanusri Saha, Indra Dasgupta and Abhijit Mookerjee
     J. Phys. (Condens. Matter) 8 1979 (1996)
114. Effect of lattice relaxation on electronic structure of disordered non-isochoric alloys : augmented space recursive approach.
     Tanusri Saha and Abhijit Mookerjee
     J. Phys. (Condens. Matter) 8 2915 (1996)




1995:

115. An Augmented Space Recursive Technique for the analysis of alloy phase stability in random binary alloys.
     Indra Dasgupta, Tanusri Saha and Abhijit Mookerjee
     Phys. Rev. B51, 3413 (1995)



1994:

116. A Study of annealed and quenched averaging of the thermodynamic potential in a disordered system : an augmented space approach.
     Tanusri Saha and Abhijit Mookerjee
     J. Phys. (Condens Matter) 6, 1529 (1994)
117. Stochastic Resonances and the Mobility Edge in the three dimensional tight binding Anderson Model.
     Indra Dasgupta, Tanusri Saha and Abhijit Mookerjee
     Phys. Rev. B50, 4867 (1994)
118. An Augmented Space recursive Technique for the calculation of electronic structure of random binary alloys.
     Tanusri Saha, Indra Dasgupta and Abhijit Mookerjee
     J. Phys. (Condens. Matter) 6 L245 (1994)
119. An Augmented Space Recursive Method for the study of short range ordering effects in binary alloys.
     Tanusri Saha, Indra Dasgupta and Abhijit Mookerjee
     Phys. Rev. B50, 13267 (1994)




1993:

120. Analysis of Stochastic Resonances in two dimensional Quantum Percolation Model.
     Indra Dasgupta, Tanusri Saha and Abhijit Mookerjee
     Phys. Rev. B47 3097 (1993)




1992:

121. Is There A Delocalisation Transition In a Two-dimensional Model For Quantum Percolation ?
     Indra Dasgupta, Tanusri Saha, Abhijit Mookerjee and B. K. Chakrabarti
     Mod. Phys. Lett. B6, 817 (1992)
122. Quantum Percolation and breakdown. Absence of the delocalisation transition in two dimensions.
     Abhijit Mookerjee, Bikas K. Chakrabarti, Indra Dasgupta and Tanusri Saha
     Physica A186 258 (1992)
123. Scaling of resistance in two dimensional tight binding Anderson Model
     Indra Dasgupta, Tanusri Saha and Abhijit Mookerjee
     J. Phys. (Condensed Matter) 4, 7865 (1992)

(ii) Scientific reviews

1. Quantum Percolation
   Abhijit Mookerjee, Indra Dasgupta and Tanusri Saha
   Int. J. Mod. Phys. B 9, 2989 (1995)

(iii) Chapters contributed to books

1. A. Mookerjee, T. Saha-Dasgupta and I. Dasgupta,
   Quantum and semi-classical percolation and breakdown
   in disordered solids , Lecture Notes in Physics, Springer- Verlag Heidelberg, 2009, 83 , 762


2. Estimation of electronic interaction strengths from ab-initio calculations.
   D. D. Sarma, N. Shanthi and T. Saha-Dasgupta
   Electronic Structure of Alloys, Surfaces and Clusters ed. A. Mookerjee and D. D. Sarma,
   Advances in Condensed Matter Sciences, 4 Taylor and Francis, 2003, pg 261-279


3. Equilibrium and non-equilibrium statistical mechanics of alloys in Fcc lattice
   T. Saha-Dasgupta and A. Finel
   Electronic Structure of Alloys, Surfaces and Clusters ed. A. Mookerjee and D. D. Sarma,
   Advances in Condensed Matter Sciences, 4, Taylor and Francis, 2003, pg 230-260


4. Developing MTO formalism.
   O. K. Andersen, T. Saha-Dasgupta, R. W. Tank, C. Arcangeli, O. Jepsen and G. Krier Electronic Structure and Physical Properties of Solids. The Uses of the LMTO Method, edited by H. Dreysse, Springer Lecture
   Notes in Physics (Springer, New York, 2000);cond-mat/9907064

(iv) Articles published in seminars, symposia, conference volumes

1. Spectral proper ties of th e Mott Hubbard insulator (Cr0.011V0.989)2O3 calculated by LDA+DMFT
   A. Toschi, P. Hansmann, G. Sangiovanni, T. Saha-Dasgupta, O. K. Andersen and K. Held
   J. Phys.: Conf. Ser., 2010, 200 , 012208.


2. Third-generation muffin-tin orbitals
   O. K. Andersen, T. Saha-Dasgupta and S. Ezhov
   Bull. of Mater. Sci. 26, 19 (2003)


3. Tight-binding model for carbon from the third-generation LMTO method: A study of transferability
   D. Nguyen-Manh, T. Saha-Dasgupta and O. K. Andersen
   Bull. of Mater. Sci. 26, 27 (2003)

(v) other publications/reports

1. Third-generation MTOs
   O. K. Andersen, T. Saha-Dasgupta, S. Ezhov, L. Tsetseris, O. Jepsen, R.W. Tank, C. Arcangeli, G. Krier,
   Psi-k Newsletter No. 45 (June 2001), 86-119


2. Roughening and wetting of anti-phase boundaries in alloys: A Monte Carlo approach
   T. Saha-Dasgupta
   Proceedings of the DAE Solid State Physics Symposium, 42, 11 (1999)


3. Roughening and wetting of antiphase boundaries.
   Tanusri Saha-Dasgupta and A. Finel,
   Bulletin of American Physical Society, 42, 438 (1997).


4. Effect of local lattice distortion in non-isochoric alloys: CuPd and CuBe.
   Tanusri Saha and Abhijit Mookerjee,
   ICTP Report, IC 95 170, (1995).


5. Electronic structure of ordered and disordered transition metal aluminides.
   Indra Dasgupta, Tanusri Saha, Abhijit Mookerjee and G.P. Das,
   ICTP Report IC 94 241, (1994).


6. Fine Structure Of Anderson Transition.
   Indra Dasgupta, Tanusri Saha and Abhijit Mookerjee
   Solid State Physics Symposium D.A.E., (1993)


7. A New Mechanism Of Transport In Quantum Percolation Model.
   Tanusri Saha, Indra Dasgupta, and Abhijit Mookerjee
   Solid State Physics Symposium D.A.E., (1992)