__Books, Reviews
and Journal Articles__

__Books and Review Articles__

1. __Nuclear Induction__ (with
A.K. Saha), Saha Institute of Nuclear Physics, Publishers(Calcutta, India,
1957)

2. __Nuclear Quadrupole Resonance
Spectroscopy__ (with E. L. Hahn), Academic Press, Publishers, (New York,
USA, March 1958)

3.__ Relativistic Quantum Theory
of Electrons__, Harper & Row Publishers, (New York, USA, 1973) Revised
Version under preparation.

__Review Articles__

I have published fifteen (15) review articles in the fields of electronic structures and magnetic and hyperfine properties in atomic, molecular and solid state systems, two of the most recent in the fields of high temperature superconducting systems and fullerenes being:

1. "Hartree-Fock Cluster Procedure for Study of Hyperfine Properties of Condensed Matter Systems" pages 1-28, in Electronic Properties of Solids Using Cluster Methods" Ed. T.A. Kaplan and S.D. Mahanti, Plenum Press, New York, London (1995)

2. "Location of Muonium and Hydrogen
in C_{60} Fullerene and Associated Electronic Structure and Hyperfine
Properties" Pages19-40, (with O. Donzelli and Tina Briere) in "Hyperfine
Interactions Detected by Nuclear Radiations" ed. M. Rots, A. Vantomme,
J. Dekostor, R. Coussement, G. Langouche in __Hyperfine Interactions __97/98(1996).

__Publications__
(Journal Articles)

I have 381 articles already published
or in press and 14 submitted or under preparation. Of these, 139 representative
articles (mostly recent ones) are being presented in the sixteen areas
of my research interests described in Section 8 of my detailed bio-data.
I have omitted my name from the list of the authors in all the publications,
listing only the co-authors for each publication. In those articles where
I am the only author, no author’s name is given.

I. __Atomic Physics-Many-Body Perturbation
Theory (Relativistic and Non-Relativistic)__

1. "Theory of Origin of Hyperfine
Interactions in Atomic Systems" Hyperfine Interactions
__34__,149(1987).

2. "First-Principles Analysis of
Strength of Parity-Non-Conservation in Atomic Thallium by Relativistic
Many-Body Theory" (with B.P. Das, J. Andriessen, Mina Vajed-Samii and S.N.
Ray) Phys. Rev. Lett. __49__,32(1982).

3. "Accurate Values of Nuclear Magnetic
Moments of Francium Isotopes" (with Mina Vajid-Samii, J. Andriessen, B.P.
Das, S.N. Ray and T. Lee) Phys Rev. Lett. __48__, 133(1982); __49__,
1466, 1800(1982).

4. "Evaluation of Magnetic Moment
of ^{213}Ra" (with S.N. Panigrahy, R.W. Dougherty, K.C. Mishra,
S. Ahmad, J. Andriessen, R. Neugart, E.W. Otten and K. Wendt) Phys. Rev.
A__43__, 2215(1991).

5. "Calculation of Hyperfine Fields
in Noble Metal Atoms" (with R.W. Dougherty, S.N. Panigrahy and J. Andriessen)
Phys. Rev. A. __47__, 2710 (1993).

6. "Hyperfine Structure of Ca^{+
}and Sr^{+} Ions-Summary of Trends in Hyperfine Interactions
in the Alkaline Earth Metal Ions and Corresponding Series with Similar
Electronic Structures" (with Xing Yuan, S.N. Panigrahy, R.W. Dougherty
and J. Andriessen) Phys. Rev. A__52__, 197 (1995).

7. "Relativistic Calculations of
the Hyperfine Interactions in the Excited 7 ^{2}P_{3/2}
and 7 ^{2}P_{1/2} States of the Ra^{+} Ion" (with
Xing Yuan, R. W. Dougherty and J, Andriessen) Phys. Rev. A__52__, 3563
(1995).

8. "Theory of Hyperfine Interactions
in Potassium and Doubly Charged Scandium Ion-Trend in Systems Isoelectronic
with Potassium" (with Alfred Owusu, Xing Yuan and J. Andriessen) Phys.
Rev. A__55__, 2644(1997).

9. "Relativistic Many-Body Investigations
of Hyperfine Interactions in Excited S-States of Alkali Metals –
Francium and Potassium" (with Alfred Owusu, R.W. Dougherty, G. Gowri and
J. Andriessen) Phys. Rev. A__56__, 305(1997).

10. "Hyperfine Interactions in the
Excited States of the Ra^{+} Ion: Striking Differences from Neutral
Alkali Atoms" (with Alfred Owusu, Xing Yuan, R.W. Dougherty, G. Gowri and
J. Andriessen) Phys. Rev. A (Under Preparation).

II. __Molecular and Cluster Physics__

1. "Ab Initio Determination of ^{57m}Fe
Quadrupole Moment from Mössbauer Data" (with K.J. Duff and K.C. Mishra)
Phys. Rev. Lett. __46__, 1611 (1981).

2. "Isomer Shifts and Hyperfine
Fields in Ferrous Dihalides" (with P. Kelires, K.C. Mishra, S.K. Mishra
and K.J. Duff) Phys. Rev. B__32__, 58 (1985)

3. "Hartree-Fock Investigations
on the Structures of Sb_{4} Clusters" (with F. Hagelberg, N. Sahoo,
K.G. Weil and K.H. Speidel) Phys Rev. A__46__, 6087(1992).

4. "Structure of Alkali-Antimony
Clusters" (with F. Hagelberg, S. Neeser, N. Sahoo, and K.G. Weil) Phys.
Rev. A__50__, 557(1994)

5. "Ab Initio Investigations on
Sb_{4} Analogus Zintl Clusters" (with F. Hagelberg, Sudha Srinivas,
N. Sahoo and K.G. Weil) Phys. Rev. A__53__, 353(1996).

6. "Electric Field Gradients in
Small Antimony Based Clusters by Ab Initio Investigations" (with F. Hagelberg
and K.G. Weil) Zeitschrift für Naturforschung __51a__, 557,(1996).

7. "Evaluation of the
^{57m}Fe
quadrupole moment from Hartree-Fock Calculations" (with F. Hagelberg) Zeitschrift
für Naturforschung __53a__, 358 (1998).

8. "Hartree-Fock Calculations for
FeCl_{2} and FeBr_{2}: The question of the ^{57m}Fe
quadrupole moment" (with F. Hagelberg and K.C. Mishra) Phys. Rev. B__65__,
014425/1 (2002).

III. __Electronic Structures and
Hyperfine and Magnetic Properties of Molecular Solids__

1. "Influence of Intermolecular
Bonding on Nuclear Quadrupole Interaction Tensors in Solid Halogens" (with
A. Coker and T. Lee) J. Chem. Phys. __66__, 3903 (1977).

2. "Theory of ^{19}F* Nuclear
Quadrupole Interaction in Fluorobenzenes" (with S. Swingle Nunes, N. Sahoo
and F. Hagelberg) Jour. Am. Chem. Society
__115__, 5145 (1993).

3. "Theory of Nuclear Quadrupole
Interactions in Solid Fluoromethanes with Implanted ^{19}F* Nuclei
– Coupling of HF* and Host Molecule" (with G. Gowri, T. Biere.
S. Srinivas H. S. Cho, M. Frank, W. Kreische and K. V. S. Rama Ras), Zeits.
Für Naturforschung __51a__, 565 (1996).

4. "Ab initio Hartree-Fock Investigation
of the Structure and Hyperfine Properties of Muonium and Hydrogen in the
C_{60} Fullerene" (with Tina Briere and O. Donzelli) Indian Journal
of Physics __67__ (Special Issue) 33, 35 (1993).

5. "Endohedral Model of Muonium
in Fullerene (C_{60}-Muonium) and Associated Hyperfine Interactions"
(with Tina Briere and O. Donzelli) Solid State Communications __90__,
663 (1994).

6. "Locations of Muonium and Hydrogen
in C_{60} Fullerene and Associated Electronic Structure, and Hyperfine
Properties" (with O. Donzelli and T. Briere) Hyperfine Interactions __97-98__,
19 (1996).

7. "First-Principles Hartree-Fock Cluster Study of Electronic Structure, Binding Energies, and Nuclear Quadrupole Interactions in Solid Halogens" (with M. M. Aryal, R. H. Scheicher, C. Gaire, S. Byahut, J. Jeong, H. Lamichhani, N. Maharjan, D. D. Paudyal and D. R. Mishra) Jour. Chem. Physics (Under Preparation).

8. "First-Principles Investigations
of ^{19}F* Nuclear Quadrupole Interaction in Fourth Group Tetrafluorides"
(with Hwa Suck Cho, T. Briere, S. Srinivas, C. Russell, G. Gowri, R. Pati,
M. Frank, W. Kreische, K. Bonde Nielsen) Hyperfine Interactions __96__,
213 (1995).

IV. __Biologically Important Molecules-__

__Electronic Structures and Magnetic
and Hyperfine Properties of Hemoglobin Derivatives, Cytochrome c and Bacterial
Photosynthetic Reaction Centers__

1. "Critical Appraisal of Electronic
Structure of Metmyoglobin, ^{14}N and ^{57}Fe Hyperfine
Interactions" (with S.K. Mun and Jane C. Chang)

Biochim. Biophys. Acta __490__,
249(1977).

2. "Study of Proton
Hyperfine Interactions
in Bacterial Photosynthetic Systems-Bacteriopheophytin Cation and Anion"(with
Jane C. Chang) Biochim. Biophys. Acta __502__, 61(1978)

3. "Study of Variation in Properties
of Ferric Porphyrins with Fifth Ligands-Magnetic Hyperfine Interactions"(with
M.K. Mallick and Jane C. Chang) Jour. Chem. Phys. __68__,1462(1978)

4. "Origin of Observed Changes in
^{14}N Hyperfine Interaction Accompanying R to T Transition in
Nitrosylhemoglobin" (with S.K. Mun and Jane C. Chang), Proc. Nat. Acad.
Sci. (USA) __76__, 4842(1979).

5. "Theory of Proton Hyperfine Interaction
in High Spin Five and Six Liganded Iron and Manganese Heme Systems" (with
S.K. Mun, M.K. Mallick, S.L. Mishra and Jane C. Chang) Jour. Am. Chem.
Soc. __103__, 5024(1981)

6. "Origin of Asymmetry in Nitrogen
Hyperfine Interactions in Myoglobin" (with K.C. Mishra, S.K. Mishra and
C.P. Scholes), Jour. Am. Chem. Soc. __105__, 7553(1983)

7. "Electronic Structure and Hyperfine
Interactions in Ubiquinone Negative Ionic Component of Reduced Bacterial
Reaction Center"(with Ayodele Coker and K.C. Mishra) Federation American
Chemical Society of Experimental Biophysics Proceedings __39__,#6,page1802(1980)

8. "Electronic Structure of Ferricytochrome
c and Associated Hyperfine Interactions" (with K.C. Mishra and S.K. Mishra)
Jour. Am. Chem. Soc. __105__, 7729(1983).

9. "g Tensor in Low Spin Heme Systems
Using Molecular Orbital Theory-Ferricytochrome c and Nitrosylhemoglobin"
(with K.C. Mishra, S.K. Mishra, J. N. Roy and S. Ahmad), Jour. Am. Chem.
Soc. __107__, 7898(1985).

10. "Variational Theory for g Tensor
in Electron Paramagnetic Resonance Experiments. Application to Ferricytochrome
c and Azidomyoglobin"(with J.N. Roy, K.C. Mishra and S.K. Mishra) Jour.
Phys. Chem. __93__,194(1989).

11. "Theory of Orbital Contributions
to Magnetic Hyperfine Field in Hemoglobin Derivatives-Application to Azidomyoglobin"(with
J.N. Roy, S.K. Mishra and K.C. Mishra), Jour. Chem. Phys.__90__, 7273(1989).

12. "Investigation of Electron Distribution
and Hyperfine Properties of Hemin by First-Principles Hartree-Fock Self-Consistent
Field Procedure" (with N. Sahoo and K. Ramani Lata) Theo. Chim. Acta __82__,
285(1992).

13. "Theory of Electronic Structure and Properties of Five-Liganded Heme Compounds Measured by Magnetic Resonance and Mössbauer Techniques " (with Minakhi Pujari, K. Ramani Lata and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

14. "Theory of Electronic Structure and Properties of Deoxy Hemoglobin Measured by Magnetic Resonance and Mössbauer Methods" (with K. Ramani Lata, C. Gaire, R. H. Scheicher and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

15. "First-Principles Investigation of Structural Differences between Relaxed and Tense Forms of Nitrosylhemoglobin" (with Minakhi Pujari and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

16. "First-Principle
Determination of Muon and Muonium Trapping Sites in Horse Heart Cytochrome
c and Investigation of Magnetic Hyperfine Properties"
(with D. Cammarere, R. H. Scheicher, N. Sahoo and K. Nagamine) Physica
B __289-290__, 636 (2000).

17. "Theoretical Study of Trapping
Sites for Muon and Muonium in the Heme Group of Cytochrome c and Associated
Shifts in Muon Spin Rotation Frequencies" (with D. Cammarere, R. H. Scheicher,
T. M. Briere, N. Sahoo, F. L. Pratt and K. Nagamine) Hyperfine Interactions
__136/137__, 759 (2001).

18. "First-Principles Theory of
Muon and Muonium Trapping in the Protein Chain of Cytochrome c and Associated
Hyperfine Interactions" (with R. H. Scheicher, D. Cammarere, T. M. Briere,
N. Sahoo, F. L. Pratt and K. Nagamine) Hyperfine Interactions __136/137__,
755 (2001).

19. "Theory of ^{14}N and
^{17}O Nuclear Quadrupole Interactions in Polyglycine and Glycine
in the Protein Chain of Cytochrome c" (with R. H. Scheicher, D. Cammarere,
N. Sahoo and K. Nagamine) Z. Naturforsch.
__57a__, 523 (2002).

20. "Theory of ^{14}N and
^{17}O Nuclear Quadrupole Interactions in the Single Amino Acids
Occurring in the Protein Chain of Cytochrome c" (with R. H. Scheicher,
D. Cammarere, N. Sahoo and K. Nagamine) Z. Naturforsch. __57a__, 532
(2002).

21. "First-Principles Study of Muon
and Muonium Trapping in the Protein Chain of Cytochrome c" (with R. H.
Scheicher, D. Cammarere, N. Sahoo, T. M. Briere, F. L. Pratt and K. Nagamine)
Physica B __326__, 30 (2003).

V. __Study of Hyperfine Interaction
Physics of Physiologically and Energetically Important Molecules__

1. "First Principle Investigation
of ^{14}N Nuclear Quadrupole Interactions in RDX" (with Ranjit
Pati, N. Sahoo and S. Ray) Jour. Physical Chemistry A__99__, 9501(1995).

2. Nitrogen Nuclear Quadrupole Interactions
in RDX , b-HMX
and Cocaine" (with Ranjit Pati, N. Sahoo and S.N. Ray) Zeits für Naturforschung
__52a__, 241 (1997).

3. "Theoretical Investigation of
Electronic Structure and Nuclear Quadrupole Interactions in b-HMX"
(with Ranjit Pati, N. Sahoo and S.N. Ray) Jour. Phys. Chem. A__101__,
8302(1997).

4. "Investigation of Electronic
Structure and Nuclear Quadrupole Interactions in Cocaine (with Ranjit Pati,
N. Sahoo and S.N. Ray) Jour. Phys. Chem. A __101__, 6101 (1997).

5. "Theory of Electronic Structure
and Nuclear Quadrupole Interactions in Heroin" (with Ranjit Pati, N. Sahoo
and T.P. Das), Jour. Phys. Chem. A __102__, 3209 (1998).

6. "Investigation of Electronic
Structure and Nuclear Quadrupole Interactions in Cocaine Hydrochloride"
(with Ranjit Pati, N. Sahoo and S.N. Ray) Jour. Phys. Chem. (Under Preparation).

VI. __Electronic Structures and
Proton Hyperfine Interactions Determining Proton Relaxivities in the Presence
of Contrast Agents in Magnetic Resonance Imaging__

1. "Theory of Hyperfine Interactions
in Aqueous Mn^{3+}-Porphyrin Systems" (with N. Sahoo), Hyperfine
Interactions __61__, 1197 (1990).

2. "Hyperfine Interactions and Relaxivities
in Divalent and Trivalent Aquoion Systems" (with N. Sahoo), Jour. Chem.
Phys. __91__, 7740 (1989).

3. "Nature of Second Hydration Shell
in Mn^{2+}-Aquoion Systems. Influence on Proton Relaxivity in Nuclear
Magnetic Resonance" (with K. Ramani Lata and N. Sahoo) Jour. Chem. Phys.
__94__, 3715 (1991).

4. "Geometrical Arrangement of Water
Molecules in Copper-Aquoion Complex-Influence on Shifts and Relaxivities
in Nuclear Magnetic Resonance" (with N. Sahoo) Jour. Chem. Phys. __93__,
1200 (1990).

5. "Coordination Number, Geometry
and Electronic Structure of Gd^{3+}- Aquoion Complexes-Proton Relaxivities
in Magnetic Resonance Imaging(MRI)" (with C. Gaire, K. Ramani Lata, R.
H. Scheicher, J. Jeong and N. Sahoo) Jour. Chemical Physics (Under Preparation).

VII. __Metallic Systems and Hydrogen
and Muon in Metals and Alloys__

1. "Electron States in Ferromagnetic
Iron, I. Band Properties", (with K.J. Duff), Phys. Rev. __B3__, 192(1971).

2. "Electron States in Ferromagnetic
Iron, II. Wave Function Properties", (with K.J. Duff), Phys. Rev. __B3__,
2294(1971).

3. "Hyperfine Field in Metallic
Iron: An Appraisal of the Theory", (with K.J. Duff), Phys. Rev. __B12__,
3870(1975).

4. "Electronic Structure of Ferromagnetic
H.C.P. Cobalt I. Band Properties." (with C.M. Singal), Phys. Rev. __B16__,
4794(1977).

5. "Electronic Structure of Ferromagnetic
H.C.P Cobalt II. Cohesive Energy and Core Exchange Splittings", (with C.M.
Singal), Phys. Rev. __B16__, 5093(1977).

6. "Electronic Structure of Ferromagnetic
H.C.P Cobalt III. Magnetic Hyperfine Field", (with B. Krawchuk and C.M.
Singal), Phys. Rev. __B16__, 5108(1977).

7. "First Principle Theory of Transition
Temperature in Ferromagnetic Metals-Application to Iron"(with G. Ciobanu,
K.J. Duff, C.M. Singal and B.D. Krawchuk), Phys. Rev.__ B13__, 4198
(1976).

8. "Hyperfine Field and Neutron
Scattering in Ferromagnetic Metals", Hyperfine Interactions __6__, 53
(1979).(Invited Talk at First International Conference on Muon Spin Rotation
at Rorschach, Switzerland , September 1978).

9. "Theory of Nuclear Quadrupole
Interaction in Cadmium Using a First Principles Pseudopotential", (with
M.D. Thompson and G. Ciobanu), Phys. Rev. __B19__, 4328(1979).

10. "Theory of Quadrupole Interaction
in the Ground State of ^{67}Zn Nucleus in Zinc Metal", (with P.C.
Pattanaik and M.D. Thompson), Phys. Rev. __B19__, 4326(1979).

11. "Mechanisms for Electric Field
Gradients in Ferromagnetic Cubic Metals", (with B.D. Krawchuk, S.N. Ray
and K.J. Duff), Hyperfine Interactions __4__, 352(1978).

12. "^{57}Fe Mössbauer
Investigations on Dy_{0.73}Tb_{0.27}Fe_{2-x}Ni_{x
}and
Ho_{0.85}Tb_{0.15}Fe_{2-y}Ni_{y} Systems"
(with H. Senthil Kumar, K.V. Reddy and K.V.S. Rama Rao) Phys. Rev. B __52__,
6542 (1995).

13. "Hydrogen Absorption and Kinetic
Studies on Zr_{0.2}Ho_{0.8}Fe_{2}"(with
T.R. Kesavan, S. Ramaprabhu and K.V.S. Rama Rao), Jour. Alloys and Compounds
__244__, 164(1996).

14. "^{57}Fe Mössbauer
Investigations on the Hydrogenated Compounds of Dy_{0.73}Tb_{0.27}Fe_{1.5}Co_{0.5}"
(with S. Kishore, G. Markendeyulu and K.V.S. Rama Rao) Solid State Communications
__104__, 735 (1997).

15. "Hydrogen Absorption Characteristics
in Zr_{0.2}Ho_{0.8}CoFe" (withT. R. Kesavan, S. Ramaprabhu
and K.V.S. Rama Rao) J. Alloys and Compounds __268__, 10 (1998).

VIII. __Impurities in Semiconductors-Wave
Function-Dependent Properties__

1. "Investigation of the Origin
of Nuclear Quadrupole Hyperfine Parameters of Implanted ^{125}Te
and ^{129}I in Semiconductors", (with M. Van Rossum, I. Dezsi,
K.C. Mishra and A. Coker), Phys. Rev. B__26__,442(1982).

2. "Bond Lengths for Iodine Impurities
in III-V Semiconductors Derived from Mössbauer Nuclear Quadrupole
Data" (with M. Van Rossum, G. Langouche and K.C. Mishra), Phys. Rev. B__28__,
6086(1983).

3. "Self-Consistent Field Investigation
of Location and Hyperfine Interaction of Muonium in Diamond" (with N. Sahoo,
S.K. Mishra, K.C. Mishra, A. Coker, C. K. Mitra, L.C. Snyder and A. Glodeanu),
Phys. Rev. Lett. __50__, 913(1983).

4. "Identification of Anomalous
Muonium in Semiconductors as a Vacancy Associated Center"(with N. Sahoo
and K.C. Mishra), Phys. Rev. Lett. __55__, 1506(1985).

5. "Self-Consistent Field Cluster
Study of Hyperfine Properties of Normal and Anamolous Muonium in Elemental
Semiconductors" (with N. Sahoo and K.C. Mishra), Hyperfine Interactions
__35__, 779 (1987).

6. "First-Principles Cluster Investigation
of Electronic Structure and Hyperfine Interaction for Nitrogen in Diamond"
(with N. Sahoo, K.C. Mishra and M. Van Rossum), Hyperfine Interactions
__35__, 701 (1987).

7. "Theory of Structure and Hyperfine
Properties of Anomalous Muonium in Elemental Semiconductors: Diamond, Silcon
and Germanium" (with N. Sahoo, S. Sulaiman and K.C. Mishra), Phys. Rev.
B__39__, 13389(1989).

8. "Investigation of Expected Location
of Muonium in Normal State in III-V Semiconductors and Muon Hyperfine Interaction"
(with S.M. Mohapatra, N. Sahoo, K.C. Mishra, Tina Briere, Sudha Srinivas
and F. Hagelberg), Hyperfine Intractions __79__, 739 (1993).

9. "Study of the Locations of Implanted
Fluorine Atoms in Silicon and Germanium Through their Nuclear Quadrupole
Interactions" (with S. Swingle Nunes, S.B. Sulaiman, N. Sahoo, M. Frank
and W. Kreische) Zeits f. Naturforschung __51__a, 560 (1996).

10. "First-Principles
Theoretical Investigation of Neutral Vacancy-Associated Muonium Center
in Silicon" (with Hong Li, A.
N. Usha Roy, N. Sahoo, R. Scheuermann and K. Nagamine) Physica B __289-290__,
516 (2000).

11. "Locations
of Implanted ^{19}F^{*} Atoms in Si, Ge and Diamond studied
Through Their Nuclear Quadrupole Interactions"
(with S. Swingle Nunes, S. B. Sulaiman, N. Sahoo, K. Bharuth Ram, M. Frank,
W. Kreische and K. Bonde Nielsen) Hyperfine Interactions
__120/121,__
151 (1999).

12. "First-Principles Calculation
of Electronics Structures and Hyperfine Interactions for Muonium Centers
in ZnO" (with H. Li, T. M. Briere, K. Shimomura, R. Kadono, K. Nishiyama
and K. Nagamine) Physica B __326__, 133 (2003).

13. "Trapping Sites for the Implanted
Fluorine Atoms in Diamond, Silicon and Germanium and Associated ^{19}F*
Nuclear Quadrupole Interaction Properties" (with S. Swingle Nunes, S.B.
Sulaiman, N. Sahoo, K. Bharuth-Ram, M. Frank, W. Kreische and K. Bonde
Nielsen) Phys. Rev. B (Under Preparation).

IX. __Theory for Adsorbed Atoms
at Semiconductor Surfaces including their Locations, Electronic Structures
and Hyperfine Properties__

1. "First Principles Investigation
of Chemisorption of Moderately Heavy Atoms on Semiconductor Surface-Bromine
on Silicon" (with S.M. Mohapatra, N. Sahoo, K.C. Mishra, B.N. Dev and W.M.
Gibson), J. of Vacuum Science and Technology __A4__, 2441(1986).

2. "First-Principles Investigation
of Location and Electronic Structure of Adsorbed Halogen Atoms on Semiconductor
Surfaces" (with B.N. Dev, K.C. Mishra and W.M. Gibson), Phys. Rev. B__29__,
1101(1984).

3. "Investigation of Location, Electronic
Structure and Associated Properties of Chalcogen Atoms Adsorbed on Silicon
Surfaces-Sulfur and Selenium" (with B.N. Dev, S.M. Mohapatra, N. Sahoo,
K.C. Mishra and W.M. Gibson), Phys. Rev. B__38__, 13335(1988).

4. "Investigation of the Electronic
Structures and Associated Properties Including Hyperfine Interactions for
Halogen-Adsorbed Silicon Surfaces- Fluorine Through Iodine", (with B.N.
Dev, S.M. Mohapatra, K.C. Mishra and W.M. Gibson), Phys. Rev. B__38__,
12556(1988).

5. "First-Principles Investigation
of Geometric and Electronic Structures of Aluminium Adsorbed on Silicon
Surfaces", (with B.N. Dev, S.M. Mohapatra, K.C. Mishra and W.M. Gibson),
Phys. Rev. B__36__, 2666(1987).

6. "Experimental and Theoretical
Investigation of Chemisorbed Ga on Si(111)" (with T. Thundat, S.M. Mohapatra,
B.N. Dev and W.M. Gibson), J. Vac. Sci. Tech. __A6__, 681 (1988).

7. "First-Principle Cluster Investigation
of Boron-Adsorbed Si(111)Surface" (with L.Luo, N. Sahoo, G.A. Smith and
W.M. Gibson), Jour. Phys. Soc. Japan
__60__, 3139(1991).

8. "Theory of Electronic Structures
and Associated Properties of Surface -Adsorbed Semiconductor Systems",
Invited Review in Special Issue on "Surface Science" of Reviews of Solid
State Science, World Scientific Publishing Company, Singapore __4__,873(1990)(with
S.M. Mohapatra, B.N. Dev, T. Thundat, L. Luo, W.M. Gibson, K.C. Mishra
and N. Sahoo).

9. "Influence of Surface Reconstruction
on Electron Distributions at Semiconductor Surfaces: Nuclear Quadrupole
Interaction for the In/Cd Adsorbed Atom on Si(111) Surface" (with Ranjit
Pati, N. Sahoo, B.N. Dev and G. Schatz), Phys. Rev. Letters (Submitted).

X. __Ionic Systems: Hartree-Fock
Cluster Method for Investigation of Electronic Structures-Analysis of Hyperfine
and Magnetic Properties__

1. "Self-Consistent Field Cluster
Study of The Origin of Hyperfine Interaction and Isomer Shift in ^{57m}Fe_{2}O_{3}"
(with P.C. Kelires) Hyperfine Interactions __34__, 285 (1987).

2. "Hartree-Fock Cluster Investigations
of Electronic Structure and Nuclear Quadrupole Interaction in the Superionic
Conductor Li_{3}N", (with P.C. Kelires and K.C. Mishra), Hyperfine
Interactions __34__, 289 (1987).

3. "Hartree-Fock Cluster Investigation
of ^{67}Zn Nuclear Quadrupole Interaction in Zinc Oxide" (with
Dale W. Mitchell, S.B. Sulaiman, N. Sahoo, W. Potzel and G.M. Kalvius)
Phys. Rev. B__44__, 6728 (1991).

4. "First Principles Investigation
of ^{67}Zn Isomer Shifts in ZnF_{2} and the Chalcogenides
ZnO, ZnS, ZnSe and ZnTe." (with D.W. Mitchell, W. Potzel, G.M. Kalvius,
H. Karzel, W. Schiessl, M. Steiner and M. Köfferlein) Phys. Rev. B__48__,
16449 (1993).

5. "First-Principles Hartree-Fock-Roothaan
SCF-LCAO-MO Calculations of the Co^{2+}(Cl^{-})_{6}
Cluster-Optical Spectrum", (with A.C. Beri, Ath.Trutia and M. Voda) Romanian
Reports in Physics __45__, 95 (1993).

6. "High-Pressure Phase Transition
in ZnSe" (with M. Köfferlein, H. Karzel, W. Potzel, M. Steiner, G.M.
Kalvius, D.W. Mitchell) Hyperfine Interactions __93__, 1453 (1994).

7. "Lattice Dynamics and Hyperfine
Interactions in ZnF_{2} Single Crystals" (with M. Steiner, W. Potzel,
M. Köfferlein, H. Karzel, W. Schiessl, G.M. Kalvius, D.W. Mitchell,
N. Sahoo, H.H. Klaus, R.D. Feigelson and G. Schmidt) Phys. Rev. B__50__,
13555(1994).

8. "^{67}Zn Mössbauer
Study of Nanostrucured ZnO" (with H. Karzel, G. McMahon, W. Potzel, W.
Schiessl, M. Steiner, U. Hiller, G.M. Kalvius, H.Gleiter, D.W. Mitchell)
Hyperfine Interactions __95__, 247, (1995).

9. "Dynamic Short Range Order Observed
in the Zn[Fe_{2}]O_{4 }Spinel by Neutron Diffraction, mSR
and Mössbauer Experiments" (with W. Potzel, G.M. Kalvius, W. Schiessl,
H. Karzel, M. Steiner, A, Kratzer, A. Martin, M.K. Krause, A. Schneider,
I. Halevy, J. Gal, W. Schäffer, G. Will, M. Hillberg, R. Wäppling
and D.W. Mitchell) Hyperfine Interactions __97/98__, 373 (1996).

10. "Cooperative Two-Photon Luminescence"
(with K.C. Mishra, J.K. Berkowitz, E.A. Dale, K.H. Johnson), Journal of
Luminescence __46__, 209 (1990). [Chosen as part of a volume of SPIE
OPTICAL ENGINEERING Press’s Milestone Series of Selected Reprints
on the Subject Photoluminescence in Inorganic Solids.]

11. "Ab initio Electric Field Gradients
and Electron Densities at ^{27}Al, ^{57}Fe, and ^{67}Zn
in the Spinels ZnAl_{2}O_{4} and ZnFe_{2}O_{4}"
(with D. W. Mitchell, W. Potzel, W. Schiessl, H. Karzel, M. Steiner, M.
Kofferlein, U. Hiller, G. M. Kalvius, A. Martin, W. Schaefer, G. Will,
I. Halevy and J. Gal) Phys. Rev. B__53__, 7684 (1996).

12. "Explanation of Unusual Observed
Features of Hyperfine Field in Antiferromagnetic Nickel Oxide from Muon
Spin Rotation Experiments" (with G. Gowri, N. Sahoo, W. Higemoto, K. Nishiyama
and K. Nagamine) Phys. Rev. B__68__, 014401 (2003).

13. "Theory of Nature of Hyperfine
Field at Muon Site in Antiferromagnetic MnO from Muon Spin Rotation Measurements"
(with G.Gowri, N. Sahoo, W. Higemoto, K. Nishiyama and K. Nagamine) Journal
of Physics, Volume C (Under Preparation).

XI. __Electron Distribution and
Hyperfine and Magnetic Properties in High-T _{c} Systems__

1. "Theory of Electron Distributions
and ^{63}Cu and ^{17}O Nuclear Quadrupole Interactions
in the High-T_{c} System YBa_{2}Cu_{3}O_{7}",
(with N.Sahoo, Sigrid Markert and K. Nagamine), Phys. Rev. B__41__,
220(1990).

2. "Theory of Electron Distributions
and ^{63}Cu and ^{17}O Nuclear Quadrupole Interactions
in YBa_{2}Cu_{3}O_{7 }and YBa_{2}Cu_{3}O_{6}",
(with S. Sulaiman, N. Sahoo, S. Markert, J. Stein and K. Nagamine) Bulletin
of Materials Science __14__, 149(1991) [Proceedings of International
Conference on Superconductivity, Bangalore, India, January 1990]

3. "Theory of Copper Hyperfine Interactions
in La_{2}CuO_{4} System", (with S.B. Sulaiman, N. Sahoo,
O. Donzelli, E. Torikai and K.Nagamine) Phys. Rev. B__44__, 7028(1991).

4. "Theory of Nuclear Quadrupole
Interactions of ^{135}Ba and ^{139}La in YBa_{2}Cu_{3}O_{6
}and La_{2}CuO_{4}",
(with S.B. Sulaiman, N. Sahoo and O. Donzelli), Phys. Rev. B__45__,
7383 (1992).

5. "Electronic Structure and Associated
Hyperfine Properties of Positive Muon in La_{2}CuO_{4}",
(with S.B. Sulaiman, Sudha Srinivas, N. Sahoo, F. Hagelberg, E. Torikai
and K. Nagamine) Phys. Rev. __B49__, 9879(1994).

6. "Behavior of Positive Muon in
High Tc Superconductor La_{2-x}Sr_{x}CuO_{4}",
(with E. Torikai, K. Nagamine, H. Kitazawa, I. Tanaka, H. Kojima, S.B.
Sulaiman and S. Srinivas), Hyperfine Interactions __78__, 403(1993).

7. "Location of Negative Muon in
La_{2}CuO_{4 }in mSR
Experiments", (with Sudha Srinivas, S.B. Sulaiman, N. Sahoo, E. Torikai,
K. Nishiyama and K. Nagamine) Hyperfine Interactions (C) __1__, 163(1996).

8. "Interaction of Paramagnetic
Electron with High T_{c} Supercurrent in LaSrCuO studied by m^{-}O
Probe", (with E. Torikai, K. Nagamine, K. Nishiyama, E. Hirose, P. Birrer,
I. Tanaka, H. Kojima, S. Srinivas and S. Maekawa) Hyperfine Interactions
97/98, 387 (1996).

9. "Probing Interaction of Paramagnetic
Electron with Conduction Electrons in High T_{c} Superconductor
LaSrCuO by (m^{-}O)
Spin Relaxation", (with E. Torikai, K. Nagamine, K. Nishiyama, E. Hirose,
Y. Ikedo, T. Ikedo, T. Hashimoto, P. Birrer, I. Tanaka, H. Kojima, S. Srinivas,
S. Maekawa, K. Yamada, S. Hosoya and Y. Endoh) Hyperfine Interactions __105__,
175 (1997).

10. "Theory of Hyperfine Interactions
Associated with the Negative Muon in Lanthanum Copper Oxide High-Tc System",
(with Sudha Srinivas, S.B. Sulaiman, N. Sahoo, E. Torikai, K. Nishiyama
and K. Nagamine) Hyperfine Interactions __105__, 167(1997).

11. "Evidence for Localized Moment
Formation at Negative Muon Bound to Apical Oxygen in LaSrCuO"_{ }(with
E. Torikai, K. Nagamine, K. Nishiyama, M. Tanabe, E. Hirose, Y. Ikedo,
T. Hashimoto, I. Tanaka, H. Kojima and S. Srinivas) Phys. Rev. B (Under
Preparation).

XII. __Organic Ferromagnets__

1. "Hartree-Fock
Investigation of Muon Trapping in the Chemical Ferromagnet 4-(p-Chlorobenzylidene
amino)-TEMPO" (with Junho Jeong, T. M. Briere, N. Sahoo, S. Ohira, K. Nishiyama
and K. Nagamine), Physica B
__289-290__, 132 (2000).

2. "Ab
Initio Molecular Orbital Studies of the Positive Muon and Muonium in 4-aryl
methyleneamino-TEMPO Derivatives"
(with T. M. Briere, J. Jeong, S. Ohira and K. Nagamine), Physica B
__289-290__,
128 (2000).

3. "Determination of Easy Axis in
a Chemical Ferromagnet, 4-(p-Chlorobenzylideneamino)-TEMPO (TEMPO = 2,2,6,6-tetramethylpiperidin-1-oxyl)
(with Junho Jeong, Tina M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama
and K. Nagamine) Hyperfine Interactions __136__, 769 (2001).

4. "Theoretical Investigation of
Muon and Muonium Trapping and Hyperfine Interactions in the Chemical Ferromagnet
p-NPNN (b-phase)" (with Junho Jeong,
Tina M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama and K. Nagamine) Hyperfine
Interactions __136__, 763 (2001)..

5. "Theory of Nuclear Quadrupole Interactions of ^{14}N,
^{17}O
and ^{35}Cl Nuclei in p-Cl-Ph-CH-N=TEMPO" (with Junho Jeong, Tina
M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama and K. Nagamine) Zeitschrift
für Naturforschung __57a__, 527 (2002).

6. "Theory of Trapping of Muon and Muonium and Hyperfine Interactions
in the Organic Ferromagnet p-NPNN (b-phase)
(with Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and
K. Nagamine) Physica B __326__, 563 (2003).

7. "Quantitative Test of Electronic Structures of Organic Ferromagnet
Systems from First Principles Investigations Using Muon Spin Rotation Data"
(with Junho Jeong, T. M. Briere, N. Sahoo, S. Ohira, K. Nishiyama and K.
Nagamine) Phys. Rev. __B66__, 132411 (2002).

8. "Study of Muon Magnetic Hyperfine Interactions and Nuclear Quadrupole
Interactions and Easy Axis in the Organic Ferromagnet p-Cl-Ph-CH=N-TEMPO"
(with Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and
K. Nagamine) Physica B __334__, 335 (2003).

XIII. __Muon Catalyzed Fusion__

1. "Trapping of Helium in Hydrogen"
(with A. N. Usha Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura
and K. Nagamine), RIKEN Review __20__, 21 (1999) [Focused on Scientific
Outputs from RIKEN-Rutherford Appleton Laboratory Muon Facility].

2. "Theory for relative strengths
of trapping of He^{+} ions in solid, liquid and gaseous hydrogen"
(with R. H. Scheicher, A. N. U. Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura,
N. Kawamura, K. Nagamine) Hyperfine Interactions __138__, 387 (2001).

3. "Ab initio Investigation of Helium
Bubble Formation from Trapped He^{+} Ions in Solid Hydrogen" (with
R. H. Scheicher, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura,
K. Nagamine) Hyperfine Interactions __138__, 431 (2001).

4. "Theory of Isotope Effects on
He^{+} Trapping in Solid Hydrogen" (with R. H. Scheicher, K. Ishida,
T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) Hyperfine Interactions
__138__, 427 (2001)..

5. "First-Principles Investigation
of He^{+} Trapping in Hydrogen" (with R. H. Scheicher, A. N. U.
Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine)
J. Chem. Phys. (Submitted).

6. "Ab initio study of trapping
of He^{+} ions in solid, liquid, and gaseous hydrogen" (with R.
H. Scheicher, A. N. U. Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N.
Kawamura, K. Nagamine) RIKEN Review __48__, 18 (2002) [Focused on High
Performance Computing in RIKEN 2001].

XIV. __Study of Structures of Silicon-Rare
Earth and SiGe-Rare Earth Systems and Photoluminescence and Other Properties__

1. "Hartree-Fock Cluster Investigations
of Locations for Erbium in Silicon" (with C. Gaire, Junho Jeong, R. H.
Scheicher, N. Sahoo, M. B. Huang, S. P. Byahut, D. R, Mishra, M. M. Aryal,
N. B. Maharjan, D. D. Paudyal) (Under Preparation).

XV. __Properties of Nano-Structured
Materials__

1. "^{67}Zn Mössbauer
Studies of Nano-Structured ZnO" (with H. Karzel, G. McMahon, W. Potzel,
W. Schiessl, M. Steiner, U. Miller, G. M. Kalvius, H. Gleiter and D. W.
Mitchell) Hyperfine Interactions __95__, 247 (1995).

2. "Studies on the Third Harmonic
Generation of Double-Layered Quantum Wires in Magnetic Fields" (with Kang-Xian
Guo and Chuan-Yu Chen) Optical and Quantum Electronics __33__, 231 (2001).

3. "Studies on the Electro-Optic
Effects of Double-Layered Quantum Wires in Magnetic Fields" (with Kang-Xian
Guo and Chuan-Yu Chen) Physica B __293__, 11 (2000).

XVI. __Electronic and Associated
Properties of Chalcogen Semi-Metals and Glass Transitions in Chalcogen
Systems__

1. "Theory of the ^{125}Te
Nuclear Quadrupole Interaction and Isomer Shifts in Tellurium, Selenium
and Sulfur" (with Ayodele Coker and Taesul Lee) Phys. Rev. __B13__,
55 (1976).

2. "Investigation of the Electronic
Properties of Tellurium – Energy Band Structure" (with Ayodele
Coker and Taesul Lee) Phys. Rev. __B22__, 2968 (1980).

3. "Investigation of the Electronic
Properties of Tellurium – Nuclear Quadrupole Interaction" (with
Ayodele Coker and Taesul Lee) Phys. Rev. __B22__, 2976 (1980).

4. "Theory of Electronic Structures
of Selenium and Tellurium with and without Impurities" (with Hwa-Suck Cho,
R. H. Scheicher, Junho Jeong, D. D. Paudyal, N. B Maharjan, D. R. Mishra
and S. P. Byahut) (Under Preparation).