ADVANCED    COMPUTATION    LABORATORY

Condensed   Matter   Group

List of Publications/Preprints :

publications

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Year 1975-1984
  1. Electron momentum distribution in nickel and copper employing renormalized free atom model

    D. G. Kanhere and R. M. Singru

    J. Phys. F. (Metal Physics), 5, 1146 (1975)

  2. Electron momentum distribution in Palladium

    D. G. Kanhere and R. M. Singru

    Phys. Letts. 53A, 67 (1975)

  3. Systematics of the electron momentum distribution in 3d transition metals

    D. G. Kanhere and R. M. Singru

    J. Phys. F: Metal Phys. 7, 2603 (1977)

  4. Electron momentum distribution and Compton profiles of Ag

    D. G. Kanhere, R. M. Singru and R. Harthoorn

    Phys. Status Sol. (b) 105, 715 (1981)

  5. Compton Profile for Neon and Argon from X wave functions

    Anjali Harmalkar, P. V. Panat and D. G. Kanhere

    J. Phys B13, 3075 (1980)

  6. A linear approximation in self consistent density functional calculations for atomic clusters

    J. Callaway, S. Ramasesha and D. G. Kanhere

    Phys. Letts. 94A, 139 (1983)

  7. Total energy of Al within the neutral pseudoatom model

    G. S. Sohoni and D. G. Kanhere

    Phys. Rev. B28, 3582 (1983)

  8. Locally averaged Compton profiles of Al

    G. S. Sohoni and D. G. Kanhere

    Solid State Commun. 48, 619 (1983)

  9. Applications of Slater's transition state theory to the core level binding energies of some simple metals in atom in Jellium model

    D. G. Kanhere, G. S. Sohoni and S. J. Mali

    Phys. Letts. 100A, 204 (1984)

  10. Self interaction corrected density functional calculation of the core level binding energies for simple metals, Mg and Al

    S. J. Mali, G. S. Sohoni and D. G. Kanhere

    Solid State Commun. 51, 897 (1984)

  11. Self interaction corrected Compton profile of Ne and Ar

    V. R. Sawant and D. G. Kanhere, J.

    Phys. B17, 3003 (1984)

  12. Calculation of X-ray photo emission shifts for some metallic elements using Slater's transition state theory

    S. J. Mali and D. G. Kanhere

    Phys. Status. Solidi (b) 125, K143 (1984)

Year 1985-1987
  1. Electronic structure of some hetero-nuclear diatomic molecules in local density approximation

    S. Dhar,A. Ziegler,D.G.Kanhere and J. Callaway

    J. Chem. Phys. 82, 868 (1985)

  2. Electron momentum distribution in Pd and Pd H

    Anjali Harmalkar, D. G. Kanhere and R. M. Singru

    Phys. Rev. B13, 6415 (1985)

  3. Exchange correlation potentials for spin polarized systems at finite temperatures

    D. G. Kanhere, P.V.Panat, A.K.Rajagopal and J.Callaway

    Phys. Rev. A33, 490 (1986)

  4. Two photon momentum density and angular correlation of positron annihilation radiation in Pd and PdH

    A. Kshirsagar, D. G. Kanhere and R. M. Singru

    Phys. Rev. B34, 853 (1986)

  5. Electronic and magnetic properties of Mn in Aluminum

    D. Bagayoka, N. Brener, J. Callaway and D. G. Kanhere

    Phys. Rev. B36, 9263 (1987)

  6. Slater transition state calculation of Auger energies of simple metals using atom in Jellium model

    S. J. Mali and D. G. Kanhere

    Solid state Commun. 60, 935 (1986)

  7. Positron annihilation from F-centers of alkali halides crystals

    D. G. Kanhere, A. Farazdel and V. H. Smith

    Phys. Rev. B35, 3121 (1987)

  8. Polarization induced pairing in high temperature superconductors, J. Callaway

    D. G. Kanhere nd P. K.Misra

    Phys. Rev. B36, 7141 (1987)

  9. Periodic Anderson model for four site clusters

    P. K. Misra, D. G. Kanhere and J. Callaway

    Phys. Rev. B35, 5013 (1987)

  10. Effect of different density functionals on the core level binding energies in some simple metals

    S. J. Mali, R. M. Singru and D. G. Kanhere

    Phys. Letts. A126, 127 (1987)

Year 1988-1990
  1. Xαapproach to the atom in Jellium model

    S. J. Mali, V. A. Singh and D. G. Kanhere

    Solid State Commun. 11, 1189 (1988)

  2. Cluster simulation of lattice Anderson model

    J. Callaway, D. P. Chen, D. G. Kanhere and P. K. Misra

    Phys. Rev. B38, 2583 (1988)

  3. Calculation of electronic properties of some solids using nonlocal density approximation

    S. J. Mali, R. M. Singru, V. A. Singh and D. G. Kanhere

    J. Phys. F (letters) (1988)

  4. Compton profiles of palladium

    B. K. Sharma, A. Gupta, H .Singh, S. Perkkio, A. Kshirsagar and D. G. Kanhere

    Phys. Rev. B 37, 6821 (1988)

  5. Anisotropies of Compton profiles in Nickel

    V. Sundararajan, R.Ashokamani and D. G. Kanhere

    Phys. Rev. B38, 12653 (1988)

  6. Self consistent LCGO calculation of positron annihilation in Copper

    V. Sundararajan, D. G. Kanhere and J. Callaway

    Phys. Letts. A133, 521 (1988)

  7. Two component density functional theory of positron negative ion binding

    D. G. Kanhere, V. Bhamre and A. Kshirsagar

    Chem. Phys. Letts. 160, 526 (1989)

  8. Electron momentum distribution in 3d metals: I Copper

    V. Sundararajan and D. G. Kanhere

    Pramana 34 ,33 (1988)

  9. Pairing interaction in Cu-O clusters

    D. G. Kanhere and V. Sundararajan

    J. Phys.: Cond. Matter 1, 9051 (1989)

  10. Small cluster calculations for simple and extended Hubbard model

    J. Callaway, D. P. Chen, D. G. Kanhere and Q. Li

    Phys. Rev. B 42, 465 (1990)

  11. Pairing in finite cluster models

    J. Callaway, D. P. Chen, D. G. Kanhere and Q. Li

    Physica B 163, issue 1-3, p127-128(1990)

Year 1991-1994
  1. A simulated annealing based algorithm for eigenvalue problems

    Mihir Arjunwadkar and D. G. Kanhere

    Comp. Phys. Commun. 67, 8 (1991)

  2. Calculation of spin dependent momentum distribution in iron

    V. Sundararajan, D. G. Kanhere and R. M. Singru

    J. Phys.: Condensed. Matter 3, 1113 (1991)

  3. Magnetic Compton profiles of ferromagnetic Ni

    V. Sundararajan and D. G. Kanhere

    J. Phys.: Condensed. Matter 3, 3311, (1991)

  4. Configuration interaction technique for Hubbard clusters

    Mihir Arjunwadkar and D. G. Kanhere

    Solid State Commun. 77, 613 (1991)

  5. An iterative eigenvalue algorithm to find lowest eigenvalues using data parallelism on transputer network

    Akshara Bhoite, D. G. Kanhere and M. Arjunwadkar

    Symposium proceedings, super computing symposium 91, Univ. of New Brunswick, Canada, 1991

  6. Role of redox ions and apex oxygen in high Tc superconductivity

    R.E. Amritkar,D.G. Kanhere, P. V. Panat and A P B Sinha

    Bul.Mat.Research 14 1079 (1991)

  7. Calculation of momentum distribution in paramagnetic Chromium: Compton Scattering and Positron Annihilation

    V. Sundararajan, D. G. Kanhere and R. M. Singru

    J. Phys.: Condensed Matter, 4, 8975 (1992)

  8. X-ray form factors and Compton profiles for some solids derived using an atom in Jellium vacancy model

    S. J. Mali, R. M. Singru and D. G. Kanhere

    J. Phys.: Condensed. Matter 4, 5173 (1992)

  9. Momentum distribution in Vanadium

    V. Sundararajan, D. G. Kanhere and R. M. Singru

    Phys. Rev. B46, 7857 (1992)

  10. Small cluster studies of lattice Anderson model

    J. Callaway, D. G. Kanhere and H. Q. Lin

    J. Appl. Physics 73, 5406 (1993)

  11. Spin-charge separation in two dimensions-a numerical study

    Mihir Arjunwadkar, P. V. Panat and D. G. Kanhere

    Phys. Rev. B48, 10563 (1993)

  12. Ab initio pseudopotentials from atom-in-Jellium calculations

    D. G. Kanhere and Dinesh B. Nehete

    J. Phys.: Condensed. Matter 5 L487 (1993)

  13. Approach to the Electronic Structure of antiferromagntes

    J. Callaway and D. G. Kanhere, A Kolchin

    J. Appl. Phys. 75 7024 (1994)

  14. A Band Model of antiferromagnetism

    J. Callaway and D. G. Kanhere

    Phy. Rev. B 49 12823 (1994)

  15. Ab inito molecular dynamics via density based energy functionals

    Vaishali Shah, Dinesh Nehete and D. G. Kanhere

    J. Phys. Cond. Matter 10773 (1994).

Year 1995-2000
  1. Superconducting gap nodal surface and the Fermi surface: Their partial overlap in cuprates

    G.Baskaran,R Basu,Mihir Arjunwadkar and D.G. Kanhere

    Modern Phys. Letters 19,1243 (1995)

  2. Wavefunction renormalization of one hole in strongly correlated system

    P. V. Panat, B. Dey, D. G. Kanhere and R. E. Amritkar

    Modern Phys. Letters 9,1685 (1995)

  3. Ground state geometries and energetics of AlnLi (n=1,13) clusters using ab initio density based molecular dynamics

    C. Majumdar,G. P. Das, S.K.Kulshehtha ,Vaishali Shah and D.G. Kanhere

    Chem. Phys. Letters , 515 (1996).

  4. Cohesive, electronic and magnetic properties of transition metal aluminides FeAl, NiAl and CoAl

    V.Sundararajan,B.Sahu,D.G.Kanhere and P.V.Panat

    J.Phys Cond Matter , 6019 (1995)

  5. Ab initio Molecular dynamics using density based energy functionals

    Dinesh Nehete, Vaishali Shah and D.G.Kanhere,

    Phys. Rev. ,2126 (1996)

  6. Ground state geometries and stability of some LinAlm clusters investigated using density based ab initio molecular dynamics

    Vaishali Shah and D.G.Kanhere,

    J.Phys Cond Matter, L253,(1996)

  7. Ab initio molecular dynamics investigation of LinAln clusters

    Vaishali Shah,D.G.Kanhere,C.majumdar and G.P.Das

    J.Phys. Cond.Matter , 1997.

  8. Numerical simulations of strongly correlated systems: an impurity in one dimension

    Ajay Nandgaonkar, Mihir Arjunwadkar, P. Durganandini and D. G. Kanhere,

    Indian Journal of Pure and Applied Physics, 665 (1997)

  9. Structure and stability of Al doped Na clusters , NanAl (n= 1,10)

    Ajeeta Dhavale , Vaishali Shah and D.G.Kanhere,

    Phys Rev. A 57,4522 (1998)

  10. Density based molecular dynamics study of melting in a finite size cluster : Al13

    Abhijat Vichare and D. G. Kanhere

    J. Phys.(Cond. Mat), 10,3309 (1998)

  11. Surface coverage Studies of the Al13 icosahedron by Li using density based molecular dynamics

    Abhijat Vichare and D. G. Kanhere

    Eur. Phys. J. D., 4, 89 (1998)

  12. Static and dynamical properties of a single impurity in a strongly correlated host

    A. Nandgaonkar, P. Durganadini, M. Arjunwadkar and D. G. Kanhere

    International Journal of Modern Physics B, 7, 807 (1999)

  13. Ground state geometries and stability of Na nMg (n=1-12) clusters using ab initio molecular dynamics,

    Ajeeta Dhhavale, D G Kanhere,C Majumdar and G P Das

    Eur. Phys. Journal D, 6, 495(1999).

  14. Clustering behavior in Bimetallic Clusters: a density functional theory based molecular dynamic study

    C. Majumdar, S. K. Kulashreshtha, G. P. Das and D. G. Kanhere

    Chem. Phys. Lett., 311, 62 (1999)

  15. Electronic structure of spinel oxides: zinc aluminate and zinc gallate

    S. K. Sampath, D. G. Kanhere and Ravindra Pandey,

    J. Phys. Condes. Matter, 11 , 3635 (1999)

  16. Ground state geometries and stability of impurity doped clusters :LinBe, Lin Mg (n=1,12)

    M. Deshpande, R. Zope, S. Chacko and D. G. Kanhere

    Phys. Rev. A 62 , 63202 (2000)

  17. Ab initio linear scaling method for electronic structure calculations via local scaling transformations

    D. G. Kanhere, Ajeeta Dhavale, E. V. Ludena and V. Karasiev

    Phys. Rev. A 62, 065201 (2000)

Year 2001-2003
  1. Density functional study of electronic structure and related properties of Aluminum doped Sodium clusters.

    Rajendra R. Zope, S. A. Blundell, C. Guet, Tunna Baruah, and D. G. Kanhere

    Phys Rev A 63, 043202 (2001)

  2. Density functional study of electronic structure and related properties of Aluminum doped Sodium clusters.

    Rajendra R. Zope, S. A. Blundell, Tunna Baruah, and D. G. Kanhere

    J. Chem. Phys. 115, 2104 (2001)

  3. Topological study of charge densities of impurity doped small Li clusters

    Tunna Baruah and D. G. Kanhere

    Phys Rev A 63, 63202 (2001)

  4. Model dependence of the thermodynamic properties of Na8 and Na20 clusters studied with ab initio electronic structure methods

    A. Vichare, D. G. Kanhere, and S. A. Blundell

    Phys. Rev. B, 64, 045408 (2001)

  5. Density functional study of structural and electronic properties of Nan Mg (1 ≤ n ≤ 12) clusters

    R. R. Zope, S. A. Blundell, T. Baruah, and D. G. Kanhere

    J. Chem. Phys. 115, 2109 (2001)

  6. Structural and electronic properties of Aluminum-based binary clusters

    S. Chacko, M. Deshpande and D. G. Kanhere

    Phys. Rev. B 64, 155409 (2001)

  7. Density functional investigation of the size dependence of the electronic structure of mixed Aluminum-Sodium clusters

    A. Dhavale, D. G. Kanhere, S. A. Blundell, and R. R. Zope

    Phys. Rev. B, 65, 085402 (2002)

  8. Density functional study of structural and electronic properties of NanLi and LinNa (n = 1-12) clusters

    M.Deshpande, D.G.Kanhere, I. Vasiliev and R.M. Martin

    Phys Rev A, 65, 033202 (2002)

  9. Ground state geometries and optical properties of Na 8 Lix (x=0-8) clusters

    M.Deshpande, D.G.Kanhere, P.V. Panat, I.Vasiliev and R.M. Martin

    Phys Rev A, 65, 053204 (2002)

  10. Ab initio investigation of electronic structure, equilibruim geometries, and finite temperature behavior of Sn-doped Lin clusters

    K. Joshi, and D. G. Kanhere

    Phys. Rev. A, 65, 043203 (2002)

  11. Abnormally high melting temperature of the Sn10 cluster

    K. Joshi, D. G. Kanhere, and S. Blundell

    Phys. Rev. B, 66, 155329 (2002)

  12. Thermodynamics of Tin clusters

    K. Joshi, D. G. Kanhere, and S. Blundell

    Phys. Rev. B, 67, 235413 (2003)

  13. Ab initio density functional investigation of B24 clusters: Rings, tubes, planes, and cages

    S. Chacko, D. G. Kanhere, and I. Boustani

    Phys. Rev. B, 68, 035414 (2003)

  14. A study of electronic and bonding properties of Sn doped Lin clusters and Aluminum based binary clusters through electron localization function

    S. Shetty, D. G. Kanhere, and S. Pal

    J. Chem. Phys. 118, 7288 (2003)

  15. Ab initio absorption spectra of Aln (n=2-13) clusters

    M. D. Deshpande, D. G. Kanhere, I. Vasiliev and R. M. Martin

    Phys. Rev. B, 68, 035428 (2003)

  16. Finite temperature behavior of impurity doped Lithium clusters, Li6 Sn

    K. Joshi, and D. G. Kanhere

    J. Chem. Phys., 119, 12301, (2003)

Year 2004-2006
  1. Metallo-Anti-aromatic Al4 Na4 and Al4 Na- compounds: A Theoretical Investigation

    S. Shetty, D. G. Kanhere, and S. Pal

    J. Phys. Chem. A 108, 628, (2004)

  2. Aromaticity and antiaromaticity of Lix Al4 clusters: Ring current patterns versus electron counting

    R. W. A Havenith, P. W. Fowler, E. Steiner, S. Shetty, D. G. Kanhere, and S. Pal

    Phys. Chem. Chem. Phys. 6, 285, (2004)

  3. Why do gallium clusters have a higher melting point than the bulk?

    S. Chacko, Kavita Joshi, D. G. Kanhere, and S. A. Blundell

    Phys. Rev. Lett. 92, 135506 (2004)

  4. Evolution of the structural and bonding properties of Aluminum-Lithium clusters

    S. Chacko, D. G. Kanhere, and V. V. Paranjape

    Phys. Rev. A, 70, 023204 (2004)

  5. Ab initio density-functional study of the equilibrium geometries and the electronic properties of Li10n Snn (n=0-10) clusters

    Mal-Soon Lee, D. G. Kanhere and Kavita Joshi

    Phys Rev A; 72, 015201, (2005)

  6. First-principles investigation of finite-temperature behavior in small Sodium clusters

    Mal-Soon Lee, S. Chacko, and D. G. Kanhere

    J Chem Phys 123, 164310 (2005)

  7. Structures, energetics, and magnetic properties of Nin B clusters with n = 1,12

    M. Deshpande, D. G. Kanhere, and R. Pandey

    Phys. Rev. A 71. 063202 (2005)

  8. First principles calculations of melting temperatures for free Na clusters

    S. Chacko, D. G. Kanhere, and S. A. Blundell

    Phys Rev B 71, 155407 (2005)

  9. Intercluster reactivity of metalloaromatic and antiaromatic compounds and Their Applications in molecular electronics: A Theoretical Investigation

    Sharan Shetty, Rahul Kar, D. G. Kanhere, Sourav Pal

    J Phys Chemi A, 110, 252-256 (2006)

  10. Structural and electronic properties of neutral and ionic GanOn

    M. Deshpande, D. G. Kanhere, and R. Pandey

    J. Phys. Chem. A, 110, 3812 (2006)

  11. Size-sensitive melting characteristics of gallium clusters: Comparison of experiment and theory for Ga17+ and Ga20+

    Sailaja Krishnamurty, S. Chacko, D. G. Kanhere, G. A. Breaux, C. M. Neal, and M. F. Jarrold

    Phys Rev B 73, 045406 , (2006)

  12. Finite-temperature behavior of small silicon and Tin clusters: an ab initio molecular-dynamics study

    Sailaja Krishnamurty, Kavita Joshi, D. G. Kanhere S. A. Blundell

    Phys. Rev. B, 73, 045419, (2006)

  13. `Magic Melters' have Geometrical origin

    Kavita Joshi, Sailaja Krishnamurty, and D. G. Kanhere

    Phys. Rev. Lett., 96, 135703 (2006)

  14. Geometry, electronic properties, and thermodynamics of pure and Al-doped Li clusters

    Mal-Soon Lee, S. Gowtham, Haiying He, Kah-Chun Lau, Lin Pan, and D. G. Kanhere

    Phys. Rev. B, 74, 245412 (2006)

  15. Structure, electronic properties, and magnetic transition in manganese clusters

    Mukul Kabir, Abhijit Mookerjee, and D. G. Kanhere

    Phys Rev B, 73, 224439 (2006)

  16. Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters

    Mukul Kabir, D. G. Kanhere, and Abhijit Mookerjee

    Phys Rev B, 73, 075210 (2006)

  17. Structural, Electronic, and Bonding Properties of Zeolite Sn-Beta: A Periodic Density Functional Theory Study

    Sharan Shetty, Sourav Pal, Dilip G. Kanhere, Annick Goursot

    Chem - A Eur J 12, 2, 518-523, (2006)

  18. A quantitative and qualitative study of the resonance assisted double proton transfer in formic acid dimer

    Sharan Shetty, Pal S, Kanhere D. G., Goursot A

    Ind. J. Chem. A. 45, 202, (2006)

Year 2007-2009
  1. Density functional investigation of the interaction of acetone with small gold clusters

    Ghazal S. Shafai, Sharan Shetty, Sailaja Krishnamurty, Vaishali Shah, D. G. Kanhere

    J. Chem. Phys. 126, 014704 (2007)

  2. Dopant-induced stabilization of silicon clusters at finite temperature

    Shahab Zorriasatein, Kavita Joshi and D. G. Kanhere

    Phys. Rev. B 75, 045117 (2007)

  3. Effects of geometric and electronic structure on the finite temperature behavior of Na58, Na57, and Na55 clusters

    Mal–Soon Lee and D. G. Kanhere

    Phys. Rev. B 75, 125427 (2007)

  4. Emergence of noncollinear magnetic ordering in small magnetic clusters Mn-n and As@Mn-n

    M. Kabir, D. G. Kanhere and A Mookerjee

    Phys. Rev. B 75, 214433 (2007)

  5. Density functional analysis of the structural evolution of Ga-n (n=30-55) clusters and its influence on the melting characteristics

    S. Krishnamurty, K. Joshi, S. Zorriasatein and D. G. kanhere

    J. Chem. Phys. 127, 054308 (2007)

  6. Electronic structure of many-electron square-well quantum dots with and without an attractive impurity: Spin-density-functional theory.

    Pujari Bhalchandra, Joshi Kavita, Kanhere D. G. and Blundell S.

    Phys. Rev. B 76, 085340 (2007)

  7. Publisher's Note: Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn-n and As@Mn-n (vol 75,art no 214433, 2007)

    M. Kabir, D. G. Kanhere and A Mookerjee

    Phys. Rev. B 76, 019901 (2007)

  8. Electronic structure of spherical quantum dots using coupled cluster method

    I. Heidari, Sourav Pal, Pujari Bhalchandra, and D. G. Kanhere

    J. Chem. Phys. 127, 114708 (2007).

  9. Melting of Aluminum Cluster Cations with 31−48 Atoms: Experiment and Theory

    C. M. Neal, A. K. Starace,M. F. Jarrold, K. Joshi, S. Krishnamurty and D. G. Kanhere

    J. Phys. Chem. C 111, 17788 (2007)

  10. Electronic structures, equilibrium geometries, and finite temperature properties of Nan (n=39-55) from first principles

    Shahab Zorriasatein, Mal-Soon Lee, and D. G. Kanhere

    Phys. Rev. B 76, 165414 (2007).

  11. Ab Initio Molecular Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au19 and Au20 Clusters

    Krishnamurty, S.; Shafai, G. S.; Kanhere, D. G.; Soule de Bas, B.; Ford, M. J.

    J. Phys. Chem. A.; (Article); 2007; 111(42); 10769-10775

  12. Equilibrium geometries, electronic structure, and magnetic properties of NinSn clusters (n=1-12)

    M. D. Deshpande, S. Roy and D. G. Kanhere

    Phys. Rev. B 76, 195423 (2007).

  13. Thermodynamics of carbon-doped Al and Ga clusters: Ab initio molecular dynamics simulations

    P. Chandrachud, K. Joshi and D. G. Kanhere

    Phys. Rev. B 76, 235423 (2007).

  14. A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory

    S. Shetty, B. S. Kulkarni, D. G. Kanhere, A. Goursot and Sourav Pal

    J. Phys. Chem. B 112, 2573 (2008).

  15. The effects of electronic structure and charged state on thermodynamic properties: An ab initio molecular dynamics investigations on neutral and charged clusters of Na39, Na40, and Na41

    Seyed Mohammad Ghazi, Mal-Soon Lee, and D. G. Kanhere

    Journal of Chemical Physics 128, 104701 (2008).

  16. Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride

    T. Kelkar, S. Pal and D. G. Kanhere

    ChemPhysChem 9, 928 (2008).

  17. First principles calculations of thermal, equations of state and thermodynamical properties of MgH2 at finite temperatures

    T. Kelkar, D. G. Kanhere and S. Pal

    Computational Materials Science 42, 510 (2008).

  18. Electronic and structural investigations of gold clusters doped with copper: Aun-1Cu- (n=13-19)

    S. Zorriasatein, K. Joshi and D. G. Kanhere

    J. Chem. Phys. 128, 184314 (2008).

  19. Far-infrared absorption of water clusters by first-principles molecular dynamics

    Mal-Soon Lee, F. Baletto, D. G. Kanhere and S. Scandolo

    J. Chem. Phys. 128, 214506 (2008).

  20. Impurity effects on the electronic structure of square quantum dots: A full configuration-interaction study

    B. S. Pujari, K. Joshi, D. G. Kanhere and S. A. Blundell

    Phys. Rev. B 78, 125414 (2008).

  21. Building Clusters Atom-by-Atom: From Local Order to Global Order

    S. M. Ghazi, S. Zorriasatein and D. G. Kanhere

    J. Phys. Chem. A 113, 2659 (2009).

  22. Stability of gold cages (Au-16 and Au-17) at finite temperature

    P. Chandrachud, K. Joshi, S. Krishnamurty and D. G. Kanhere

    Pramana-Journal of Physics 72, 845 (2009).

  23. Enhanced magnetic moment in Fe-doped Pdn clusters (n = 1–13): a density functional study

    S. Barman, D. G. Kanhere and G. P. Das

    J. Phys.: Condens. Matter 21, 396001 (2009).

  24. Electronic structure and magnetic properties of Ni3nAln clusters

    V. Shah and D. G. Kanhere

    Phys. Rev. B 80, 125419 (2009).

  25. Structures, energetics and magnetic properties of (NiSn)n clusters with n = 1–6

    V. H. Shewale, M. D. Deshpande and D. G. Kanhere

    Pramana-Journal of Physics 73, 699 (2009).

  26. Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane

    B. S. Pujari and D. G. Kanhere

    J. Phys. Chem. C 113, 21063 (2009).

Year 2010 onwards

  1. Ferromagnetism in Carbon-Doped Zinc Oxide Systems

    B. J. Nagare, Sajeev Chacko and D. G. Kanhere

    J. Phys. Chem. A, 114 (7), pp 2689–2696 (2010)

  2. A systematic study of electronic structure from graphene to graphane

    P. Chandrachud, B. S. Pujari, S. Haldar, B. Sanyal and D. G. Kanhere

    J. Phys.: Condens. Matter 22 465502 (2010)

Publications in edited books, conference, proceedings, etc.

  1. Anisotropic of the position angular correlation of Ni and Cu, D. G. Kanhere and R. M. Singru, Presented at Fourth International Conference on Positron Annihilation, Denmark, August 1976.
  2. Two component density functional theory of positron annihilation, in ``Electronic Band Structure and its Applications", ed. M. Yussouf, Springer-Verlag, Vol. 283 (1987).
  3. Periodic Anderson model for small clusters, P. K. Misra, D. G. Kanhere and J. Callaway, in ``Physics and Chemistry of Small Clusters", ed. P. Jena et al., Plenum (1987).
  4. Periodic Anderson model for small clusters, P. K. Misra, J. Callaway and D. G. Kanhere in ``Current Trends in Physics of Materials," ed. M. Yussouf, World Scientific (1987).
  5. Studies on model Hamiltonians on finite clusters, J. Callaway, D. P. Chen, Q. Li, D. G. Kanhere and P. K. Misra, in “Quantum Simulations of Condensed Matter Phenomenon,” World Scientific.
  6. Parallelization of hybrid MD-SA based interactive algorithm for eigenvalue problems on transputer network, Akshara Bhoite and D. G. Kanhere, Presented at PARCOM–90, Pune (DEC 1990).
  7. Numerical correlations of strongly correlated system, D. G. Kanhere and Mihir Arjunwadkar, Strongly Correlated Electron System, Experiment and Theory, Ed S. Ramasesha, and D. D. Sarma, Narosa Publishing House, India.,p 196, 1996.
  8. Melting in Finite Sized Systems D. G. Kanhere, Abhijat Vichare, and S. A. Blundell, in Reviews of Modern Quantum Chemistry, Ed. K. D. Sen, World Scientific (2002).

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