Publications in descending order of the year published

Publications in descending order of the year published

Present

“A First Principles Study of Water Adsorption on Alpha-Pu (020) Surface, “(with J. Wang), Journal of Nuclear Materials, 424, 138-145 (2012).
“Formation Energies and Swelling of Uranium Dioxide by Point Defects,” (with Li Ma), Physics Letters, 376, 1499-1505 (2012).
“An Ab Initio Study of Atomic Hydrogen and Oxygen Adsorptions on Armchair Silicon Carbide Nanotubes,” (with H. Chen and K. Adhikari), Journal of Computational and Theoretical Nanoscience, accepted for publication.
“Quantum Size Effects in the Electronic Structure Properties of γ – U (100) Nanolayers,” (with D. Morrison), Journal of Computational and Theoretical Nanoscience, accepted for publication.
“Elemental and Mixed Actinide Dioxides: An Ab Initio Study” (with Li Ma and R. Atta-Fynn), Journal of Theoretical and Computational Chemistry, accepted for publication.
“Silicon Carbide Nanotubes: From Finite Single-Walled to Infinite Multi-Walled,” (with K. Adhikari), Review Article, Journal of Computational and Theoretical Nanoscience, accepted for publication.
“Theoretical Study of SiC Nanostructures: Current Status and a New Theoretical Approach,” (with M. N. Huda), Review Article, Journal of Computational and Theoretical Nanoscience, accepted for publication.
“Growth Behavior and Magnetic Properties of Spherical Uranium Oxide Nanoclusters,” (with Li Ma), Journal of Computational and Theoretical Nanoscience, accepted for publication.
“Stabilities of Silicon Carbide Nanocones: A Nanocluster Based Study,” Journal of Nanoparticle Research, accepted for publication.
“Applications and Interpretations of Density Functional Theory with Potential U in Atomic and Molecular Systems,” (with M. N. Huda), Journal of Physical Chemistry, submitted for publication.
“An Ab Initio Study of the Interaction of CO2 with the α- Pu (020) Surface,” (with J. Wang), Chemical Physics Letters, submitted for publication.
“Existence and Stability of Co-Axial and Meshed Double-Walled Armchair Silicon Nanotubes,” (with H. Chen), Physica E, submitted for publication.
“Unusual Bonding Characteristics in a New Type of Single Walled Armchair SiGe Nanotubes,” (with P. Wanaguru), Journal of Computational and Theoretical Nanoscience, submitted for publication.

2011

“Atomic Hydrogen Adsorption on the (020) Surface of α – Pu – A Computational Study,” (with F. Islam), Physica Status Solidi B, 248, 193- 202 (2011).
“On the Existence and Stability of Double-Walled Armchair Silicon Carbide Nanotubes,” (with K. Adhikari), Solid State Communications, 151, 430-435 (2011).
“Carbon- and Silicon-Capped Silicon Carbide Nanotubes: An Ab Initio Study,” (with K. Adhikari), Physics Letters A, 375, 1817-1823 (2011).
“A Hybrid Density Functional Theory Study of PuO2+0.25,UO2+0.25, U0.5Pu0.5O2+0.25,” (with Li Ma), European Physical Journal B, 81, 103-113 (2011).
“Anomalous Dependence of Band Gaps of Binary Nanotubes on Diameters,” (with K. Adhikari and M, N, Huda), Journal of Computational and Theoretical Nanoscience, 8, 1502-1508 (2011).
“Adsorption and Dissociation of Molecular Oxygen on α – Pu (020) Surface – A Density Functional Study,” (with J. Wang), Physica B, 406, 3285-3294 (2011).
“Co-Adsorptions of Hydrogen Molecules with Single Wall Silicon Carbide Nanotubes: An Ab Initio Study,” (with S. Mukherjee), Journal of Computational and Theoretical Nanoscience, 8, 1798-1810 (2011).
“Cluster Modeling of Three Types of Armchair Silicon Carbide Nanotubes,’ (with K. Adhikari), European Physical Journal D, 64, 353-363 (2011).

2010

“A Computational Study of Endohedral and Exohedral Complexes of Molecular Hydrogen with Single Wall (3,3) to (6,6) Armchair Silicon Carbide Nanotubes,” (with S. Mukherjee), Journal of Computational and Theoretical Nanoscience, 7, 1518-1530 (2010).
“A LDA+U Study of the Photoemission Spectra of the Double Hexagonal Close Packed Phases of Am and Cm,” (with F. Islam) Solid State Communications, 150, 938-942 (2010).
“On the Magnetic and Thermodynamic Properties of Americium II – A Hybrid Density Functional Theoretic Study,” (with J. Wang and Li Ma), Physics Letters A, 374, 4704 – 4712 (2010).
“A Hybrid DFT Description of the (0001) Surface of Americium –I (with R. Atta-Fynn), European Physical Journal B, 78. 13-22 (2010).
“An Ab Initio Study of SiC Nanotubes: Current Status and Future Prospects,” (with M. N. Huda and M. M. Al-Jassim), pp. 1-25, Nanoclusters and Nanostructured Surfaces (Ed. Asok K. Ray, American Scientific Publishers, 2010).
“A Hybrid Density Functional Study of GeC and Pure Ge Nanotubes,” (with S. J. Rathi), pp. 189-205, Nanoclusters and Nanostructured Surfaces (Ed. Asok K. Ray, American Scientific Publishers, 2010).
“An Ab Initio Study of Molecular Hydrogen Interactions with Silicon Carbide Nanorubes,” (with S. Mukherjee), pp. 275-303, Nanoclusters and Nanostructured Surfaces (Ed. Asok K. Ray, American Scientific Publishers, 2010).

2009

“A First Principles Study of the Interactions of Fe Atom with Single Walled Zigzag SiC Nanotubes,” (with K. Alam), Journal of Computational and Theoretical Nanoscience, 6, 16-29 (2009).
“Does Hybrid Density Functional Theory Predict a Non-Magnetic Ground State for δ – Pu?,” (with R. Atta-Fynn), Europhysics Letters, 85, 27008-p1- p6 (2009).
“Adsorption and Dissociation of Molecular Hydrogen on the (0001) Surface of Double Hexagonal Close Packed Americium,” (with P. P. Dholabhai), European Physical Journal B, 67, 183-192 (2009).
“A Relativistic DFT Study of Water Adsorption on δ – Pu (111) Surface,” Chemical Physics Letters, 470, 233-239 (2009).
“Adsorption and Dissociation of Water on the (0001) Surface of Double Hexagonal Close Packed Americium,” (with P. Dholabhai), Physica Status Solidi B, 246, 1225-1237 (2009).
“A First Principles Study of the Adsorption and Dissociation of CO2 on the δ-Pu (111) Surface,” (with R. Atta-Fynn), European Physical Journal B, 70, 171-184 (2009).
“Interactions of Fe Atom with Single Wall Armchair SiC Nanotubes : An Ab Initio Study,” (with K. Alam), Journal of Nanoparticle Research, 11, 1405- 1420 (2009).
“Interplay between Spin Polarization, Orbital Polarization, and Spin-Orbit Coupling in Actinides from Pa to Cm,” (with F. Islam), Journal of Computational and Theoretical Nanoscience, 6, 1458-1467 (2009).
“Probing the 5f Electrons in Am-I by Hybrid Density Functional Theory,” (with R. Atta-Fynn), Chemical Physics Letters, 482, 223-227 (2009).

2008

“A Relativistic Density Functional Study of FCC Americium and the (111) Surface,” (with D. Gao), Physical Review B, 77, 035123-1-9 (2008).
“Hybrid Density Functional Study of Armchair Silicon Carbide Nanotubes,” (with K. Alam), Physical Review B, 77, 035436-1-10 (2008).
“Hybrid Density Functional Study of Armchair Silicon Carbide Nanotubes,” (with K. Alam), Virtual Journal of Nanoscale Science and Technology, February 11 (2008).
“Atomic Adsorption on the (020) Surface of α – Pu – A Density Functional Study,” (with R. Atta-Fynn), Physical Review B, 77, 085105-1-11(2008).
“A Density Functional Study of Atomic Hydrogen and Oxygen Chemisorption on the Relaxed (0001) Surface of Double Hexagonal Close Packed Americium,” (with P. Dholabhai and R. Atta-Fynn), European Physical Journal B, 61, 261-270 (2008).
“A Hybrid Density Functional Study of Zigzag and Chiral Silicon Nanotubes,” (with S. Rathi), Journal of Computational and Theoretical Nanoscience, 5, 464-475 (2008).
“Evolution of SiC NanoCluster from Carbon Fullerene : A Density Functional Theoretic Study,” (with M. N. Huda), Chemical Physics Letters, 457, 124-129 (2008).
“On the Electronic and Geometric Structures of Armchair GeC Nanotubes – A Hybrid Density Functional Study,” (with S. Rathi), Nanotechnology, 19, 335706 - 335716 (2008).
“An Ab Initio Study of Molecular Hydrogen Interaction with SiC Nanotube – A Precursor to Hydrogen Storage,” (with S. Mukherjee), Journal of Computational and Theoretical Nanoscience, 5, 1210-1219 (2008).
“On the Existence and Stability of Single Walled SiGe Nanotubes,” (with S. Rathi), Chemical Physics Letters, 466, 79-83 (2008).
“An Ab Initio Study of the Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium,” (with P. Dholabhai and R. Atta-Fynn), Physica B, 403, 4269-4280 (2008).

2007

“A Full Potential–Linearized Augmented Plane Wave (FP-LAPW) Study of Atomic Carbon, Nitrogen, and Oxygen Chemisorption on the (100) Surface of δ-Pu,” (with R. Atta-Fynn), Physica B, 392, 112 - 126(2007).
“A Density Functional Study of Atomic Oxygen and Carbon Adsorptions on (100) Surface of γ – Uranium,” (with P. Dholabhai), Physica Scripta, 75, 506-514 (2007).
“Quantum Size Effects in the (0001) Surface of Double Hexagonal Close Packed Americium (with D. Gao), European Physical Journal B, 55, 13-22 (2007).
“An Ab Initio Full Potential Fully Relativistic Study of Atomic Carbon, Nitrogen, and Oxygen Chemisorption on the (111 Surface of d -Pu,” (with R. Atta-Fynn), Physical Review B, 75 , 195112-1-13 (2007).
“An Ab Initio Computational Study of Atomic Adsorption on GaAs Surfaces Modeled by Nanoclusters,” (with M. L. Mayo), Journal of Computational and Theoretical Nanoscience, 4, 443-452 (2007).
“Silicon Carbide Nanostructures to Nanotubes,” (with M. N. Huda and L. Kleinman), Journal of Computational and Theoretical Nanoscience, 4, 739-744 (2007); Cover page has a copy of one of our figures.
“A First-Principles Electronic Structure Study of the High-Symmetry Surfaces of FCC Americium,” (with D. Gao), Journal of Alloys and Compounds, 444-445. 184-190 (2007).
“A Density Functional Study of Carbon Monoxide Adsorption on the (100) Surface of γ-Uranium,” (with P. Dholabhai), Journal of Alloys and Compounds, 444-445. 356-362 (2007).
“A Fully Relativistic Density Functional Study of the Actinide Nitrides,” (with R. Atta-Fynn), Physical Review B, 76, 115101-1-12 (2007).
“Relaxation of the (111) Surface of δ – Pu and Effects on Atomic Adsorption – An Ab Initio Study,” (with R. Atta-Fynn), Physica B, 400, 307-316 (2007).
“A Hybrid Density Functional Study of Zigzag Silicon Carbide Nanotubes,” (with K. Alam), Nanotechnology, 18, 495706-1-10 (2007).
“First Principles Calculations of Localization of 5f Electrons in Bulk Alpha-Plutonium,” (with H. R. Gong), Journal of the Physical Society of Japan, 76, 114701-1-4 (2007).

2006

“Novel Silicon-Carbon Fullerene-Like Nanostructures : An Ab Initio Study on the Stability of Si₅₄C₆and Si₆₀C₆ Clusters,” (with A. Srinivasan), Journal of Nanoscience and Nanotechnology, 6, 43-53 (2006).
“A Hybrid Density Functional Study of Armchair Si and Ge Nanotubes,” (with P. Pradhan), Journal of Computational and Theoretical Nanoscience, 3, 128-133 (2006).
“An Ab Initio Study on the Electronic and Geometric Structures of Si_mC_n⁺Cationic Nanoclusters,” (with P. Pradhan), European Physical Journal D, 37, 393-407 (2006).
“5f Delocalization of Bulk FCC Americium and the (111) Surface : A FP-LAPW Electronic Structure Study,” (with D. Gao), Actinides 2005 – Basic Science, Applications and Technology, MRS Symposium Proceedings, 803, 39-44 (2006).
“A First-Principles Study of the (111), (001), and (110) Surfaces of δ – Pu,” (with H. R. Gong), Actinides 2005 – Basic Science, Applications and Technology, MRS Symposium Proceedings, 803, 44-50 (2006).
“The 5f Localization – Delocalization in Square and Hexagonal Americium Monolayers – A FP-LAPW Electronic Structure Study,” (with D. Gao), European Physical Journal B, 50, 497-503 (2006).
“A Fully-Relativistic Full-Potential-Linearized-Augmented-Plane-Wave Study of the (111) Surface of d - Pu,” (with H. R. Gong), Surface Science, 600, 2231-2241 (2006).
“Silicon-Carbide Nano Clusters: A Pathway to Future Nano – Electronics,” (with M. N. Huda), Review Article, Journal of Computational and Theoretical Nanoscience, 3, 315-341 (2006).
“A Density Functional Theoretic Study of Novel Silicon-Carbon Fullerene-Like Nanostructures: Si₄₀C₂₀, Si₆₀C₂₀, Si₃₆C₂₄, and Si₆₀C₂₄,” (with A Srinivasan and M. N. Huda), European Physical Journal D, 39, 227-236 (2006).
“On the Convergence of the Electronic Structure Properties of the FCC Americium (001) Surface,” (with D. Gao), Surface Science, 600, 4941-4952 (2006).

2005

“A Density Functional Study of O₂ Adsorption on the (100) Surface of g - Uranium,” (with M. N. Huda), International Journal of Quantum Chemistry, 102, 98-105 (2005).
“A Density Functional Study of Molecular Oxygen Adsorption and Reaction Barrier on Pu (100) Surface,” (with M. N. Huda), European Physical Journal B, 43, 131-141 (2005).
“An Ab Initio Study on the Use of Ag2- for Catalytic Oxidation of CO,” (with P. Dholabhai and X. Wu), Journal of Molecular Structure: THEOCHEM, 723, 139-145 (2005).
“A Cluster Study of Aluminum Adsorption on Ga-Rich GaAs (100) (2x1) and b (4x2) Surfaces,” (with M. L. Mayo), European Physical Journal D, 33, 413-420 (2005).
“A Full-Potential-Linearized-Augmented-Plane-Wave Electronic Structure Study of d - Plutonium and the (001) Surface,” (with X. Wu), Physical Review B, 72, 045115-1-9 (2005).
“An Ab Initio Study of H₂ Interaction with the Pu (100) Surface,” (with M. N. Huda), Physica B, 366, 95-109 (2005).
“Molecular Hydrogen Adsorption and Dissociation on the Pu (111) Surface,’ (with M. N. Huda), Physical Review B, 72, 085101-1-11 (2005).
“An Ab Initio Study of Molecular Oxygen Adsorption on Pu (111) Surface,” (with M. N. Huda), International Journal of Quantum Chemistry, 105, 280-291 (2005).
“Relativistic LCGTO-FF Calculations of Quantum Size Effects in Plutonium Films,” (with J. C. Boettger), International Journal of Quantum Chemistry, 105, 564-570 (2005).
“Quantum Size Effects in δ – Pu (110) Films,” (with H. R. Gong), European Physical Journal B, 48, 409-416 (2005).
“Silicon-Carbon Fullerene-Like Nanostructures : An Ab Initio Study on the Stability of Si₆₀C_2n(n = 1, 2) Clusters,” (with A. Srinivasan and M. N. Huda), Physical Review A, 72, 063201-1-10 (2005).
“An Ab Initio Study of Charge State Effects on the Use of Ag₂⁺and Ag₂ for Catalytic Oxidation of CO,” (with P. Dholabhai), Journal of Theoretical and Computational Chemistry, 4, 1075-1091 (2005).

2004

“Carbon Dimer in Silicon Cage: A Class of Highly Stable Silicon Carbide Clusters,” (with M. N. Huda), Physical Review A (Rapid Communications), 69, 011201-4 (2004); Virtual Journal of Nanoscale Science and Technology, Feb. 9 (2004).
“A First-Principles Electronic Structure Study of Quantum Size Effects in (111) Films of d-Plutonium,” (with J. C. Boettger), Physical Review B, 70, 085418-1-6 (2004).
“Electronic Structure and Bonding of Oxygen on Plutonium Layers,” (with M. N. Huda), European Physical Journal B, 40, 337-346 (2004).
“A Density Functional Study of Atomic Hydrogen Adsorption on Plutonium Layers,” (with M. N. Huda), Physica B, 352, 5-17 (2004).
“Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp²–sp³ Covalent-Ionic Hybridized Nanosystems”, (with M. N. Huda), European Physical Journal D, 31, 63-68 (2004).
“Density Matrix Force-Balance Equation Applied to He, Be, and Ne atoms and to Almost-Spherical Methane-Like Molecules,” (with I. A. Howard, N. H. March, F. Bartha, and M.-L. Zhang), International Journal of Quantum Chemistry, 100, 155-165 (2004).
“A Density Functional Study of the Structure and Energetics of Small Hetero-Atomic Silicon-Carbon Nanoclusters,” (with P. Pradhan), Journal of Molecular Structure: THEOCHEM, 716, 109 -130 (2004).

2003

“A Correlation Study of Small Silver Clusters,” (with M. N. Huda), European Physical Journal D, 22, 217-227 (2003).
“Electronic Structures and Magic Numbers of Small Silver Clusters: A Many Body Perturbation Theoretic Study,” (with M. N. Huda), Physical Review A, 67, 013201-1-013201-13 (2003).
“Quantum Size Effects in Hexagonal Plutonium Layers,” (with J. C. Boettger), AIP Conference Proceedings, 673, 198-200 (2003).

2002

“On the Electronic Structures of Gold Tetramer Clusters,” Computational MaterialsScience, 25, 279-284 (2002).
“An All-Electron LCGTO Study of Square and Hexagonal Plutonium Monolayers,” (with J. C. Boettger), The European Physical Journal B, 27, 429-433 (2002).
“Fully Relativistic Density Functional Calculations on Hydroxylated Actinide Oxide Surfaces,” (with J. C. Boettger), International Journal of Quantum Chemistry, 90, 1470 – 1477 (2002).
“A Density Functional Study of Water Adsorption on PuO₂ (110) Surface,” (with X. Wu), Physical Review B, 65, 085403 (2002).

2001

“A Cluster Approach to Hydrogen Chemisorption on GaAs (100) Surface,” (with R. Schailey), Computational Materials Science, 22, 169-179 (2001).
“A Density Functional Study of Plutonium Dioxide,” (with X. Wu), The European Physical Journal B, 19, 343-351 (2001).
“A Hybrid Density Functional Cluster Study of the Bulk and Surface Electronic Structures of Plutonium Dioxide,” (with X. Wu), Physica B, 301, 359-369 (2001).
“A Hybrid Density Functional Cluster Study of the Bulk and Surface Electronic Structures of Plutonium Monoxide,” (with X. Wu), Physica B, 293, 362-375 (2001).

2000

“All Electron LCGTO Calculations for Uranium Dioxide,” (with J. C. Boettger), International Journal of Quantum Chemistry, 80, 824-830 (2000).
“An Ab Initio Study of PuO₂and PuN₂,” (with E. Archibong), Journal of Molecular Structure (TheoChem), 530, 165-170 (2000).
“All-Electron Density Functional Theory Calculations of the Zero-Pressure Properties of Plutonium Dioxide,” (with J. C. Boettger), AIP Conference Proceedings 532, Plutonium Futures-The Science, edited by K. K. S. Pillay and K. C. Kim.
“Relation between Vacancy Properties and Surface Energies in Three Noble or Transition Metals (with N. H. March), Journal of Physics and Chemistry of Solids, 61, 827-828 (2000).

1999

“Possible Existence of the Plutonium Dimer,” (with E. Archibong), Physical Review A,60, 5105-5107 (1999).
“An Ab Initio Cluster Study of Chemisorption of Atomic Cs on Ga-Rich GaAs (100) (2x1), (2x2) and (4x2) Surfaces,” (with R. Schailey), Journal of Chemical Physics, 111, 8628-8638 (1999).
“A Density Functional Cluster Study of K Adsorption on GaAs (110) Surface,” (with M. Panda), Journal of Vacuum Science and Technology A, 17, 2647-2654 (1999).
“Si_nClusters: Surface Energy Considerations for Large n and All-Electron Hartree-Fock Calculations for n=45,” (with N. H. March, D. J. Klein and X. Wu), International Journal of Quantum Chemistry, 75, 829-838 (1999).
“A Density Functional Study of Small Neutral and Cationic Vanadium Clusters V_n and V_n⁺ (n=2-9),” (with X. Wu), Journal of Chemical Physics, 110, 2437-2445 (1999).

1998

“Force Fields in Liquid and Solid Cu Metal: Relation between Quantum Chemical and Density Functional Treatments,” (with N. H. March), Physics and Chemistry of Liquids, 36, 207-214 (1998).

1997

“A Correlation Study of Boron Dimers and Trimers,” (with I. A. Howard), Zeitschrift fur Physik D, 42, 299-301 (1997).
“Geometries and Energies of Small Aluminum Clusters in FCC Symmetry,” (with B. K. Rao), Journal of Physics : Condensed Matter, 9, 2859-2868 (1997).

1996

“A Cluster Study of Rb Atom Chemisorption on GaAs (110) Surface,” (with K. M. Song), Journal of Physics: Condensed Matter, 8, 6617-6627 (1996).
“Interactions of the Na₂ Dimer with a C₆₀Molecule,” (with A. S. Hira), Physical Review A, 54, 2205-2215 (1996).
“A Computational Model for Coupled Electron-Photon Transport in Two Dimensions,” (with R. P. Datta, S. D. Altekar and J. E. Morel), Physical Review E, 53, 6514-6522 (1996).
“Anomalous Spectroscopy of Li₄^– Cluster,” (with B. K. Rao and P. Jena), Physical Review Letters, 76, 2878-2881(1996).
“On the Choice of Basis Sets for the Study of Chemisorption of Hydrogen on Aluminum,” (with P. C. Lin, J. Niu and B. K. Rao), Proceedings of the International Symposium of the Science and Technology of Atomically Engineered Materials , World Scientific Publishing, 275-279 (1996).

1995

“Diatomic Heteronuclear Iron-Metal(3d) Molecule Clusters and their Electronic Structures (with H. J. Choi and A. M. Lemos), Journal of the Korean Physical Society, 28, 796-798 (1995).
“Interaction Sites of a Na⁺Ion and a Na Atom with a C₆₀Molecule,” (with A. S. Hira), Physical Review A, 52, 141-148 (1995)
“A Computational Model for Electron Backscattering in Electron Dosimetry,” (with T. Kellogg), Medical Physics, 22, 25-30 (1995).
“Geometries and Electronic Structures of Negatively Charged Carbon Clusters,” (with B. K. Rao), Zeitschrift fur Physik D, 33, 197-201 (1995).

1994

“Correlation Study of Sodium Atom Chemisorption on the GaAs(110) Surface,” (with K. M. Song and D. C. Khan), Physical Review B, 49, 1818-1826 (1994).
“A Diffraction Study of the Structure of Liquid Potassium Near Freezing and Density Functional Theory of Pair Potentials,” (with M. W. Johnson, N. H. March and F. Perrot), Philosophical Magazine, 69, 965-977 (1994).
“A Cluster Study of the Stabilities of Adsorption Sites and Charge Transfers at the Na/Si (100) Surface,” (with P. C. Lin and A. S. Hira), Physica Status Solidi, 182, 331-345 (1994).
“On the Electronic Structures of GaAs Clusters,” (with K. M. Song and P. Khowash), Journal of Physics B, 27, 1637-1647 (1994).
“Exploiting Parallelism in a S_n Transport Algorithm : An Angular Approach.” (with S. D. Altekar), Parallel Algorithms and Applications, 4, 317-328 (1994).
“An Ab Initio Study of Potassium Chemisorption on GaAs (110) Surface,” (with K. M. Song), Journal of Physics: Condensed Matter, 6, 9571-9583 (1994).
“An Ab Initio Study of Cesium Chemisorption on the GaAs(110) Surface,” (with K. M. Song), Physical Review B, 50, 14255-14266 (1994).

1993

“On the Parallelization of a S_n Transport Algorithm on a Cray Y-MP,” (with S. D. Altekar and B. R. Wienke), Parallel Computing, 19, 823-834 (1993).
“On the Interaction of a Sodium Atom with the Silicon (111) Surface,” (with M. Mahapatra and A. S. Hira), Journal of Physics: Condensed Matter 5, 6543-6554 (1993).
“A Discrete-Ordinates Study of Two Dimensional Electron Transport,” (with R. P. Datta and B. R. Wienke), Journal of Physics D: Applied Physics, 26, 1077-1083 (1993).
“Stability of Clusters in Two Dimensions,” (with B. K. Rao and P. Jena), Physical Review B, 42, 14702-14705 (1993).
“A Spatial Characteristic Scheme for Multigroup Discrete Ordinates Electron Transport in Two Dimensions,” (with R. P. Datta), Physica Status Solidi, 180, 85-95 (1993).
“Three Particle Correlation Function and Structural Theories of Dense Metallic Liquids,” (with K. I. Golden and N. H. March), Molecular Physics, 80, 915-924 (1993).

1992

“Isomer Shifts and Electric Field Gradients in Y (Fe_1-xAl_x),” (with P. Blaha and K. Schwarz), Journal of Magnetism and Magnetic Materials, 104, 683-684 (1992).
“Adsorption of Monatomic Hydrogen in Icosahedral Borides,” (with I. A. Howard), Physical Review B, 45, 3680-3684 (1992).
“Structure and Binding in Small Neutral and Cationic Boron Clusters,” (with I. A. Howard and K. M. Kanal), Physical Review B, 45, 14247-14255 (1992).
“A Correlation Study of Large Potassium Neutral Clusters,” (with K. M. Kanal and I. A. Howard), Physica Status Solidi, 171, 131-140 (1992).
“Correlation Study of Sodium Atom Chemisorption on Silicon Surface,” (with S. N. Ekpenuma), Journal of Physics: Condensed Matter, 4, 5077-5086 (1992).
“A Correlation Study of Large Neutral and Singly Ionized Carbon Clusters,” (with M. S. Islam), Journal of Physics: Condensed Matter, 4, 4101-4114 (1992).
“Stabilities of Adsorption Sites and Charge Transfers at the K/Si (001) Surface,” (with S. N. Ekpenuma), Physical Review B, 46, 16163-16166 (1992).
“A Computational Study of the Discretization Error in the Solution of the Spencer-Lewis Equation by Doubling Applied to the Upwind Finite Difference Approximation,” (with P. Nelson and D. L. Seth), Journal of Computational Physics, 103, 370-381 (1992).
“A Note on 2-D Electron Transport Using Discrete Ordinates,” (with R. P. Datta, A. S. Hira and B. R. Wienke), Supercomputer, 9, 15-21 (1992).
“A Hartree-Fock Study of Small Carbon Cluster Anions,” (with B. K. Rao), Physics and Chemistry of Finite Systems: From Clusters to Crystals, Kluwer Academic Publishing, 645-650 (1992).

1991

“A Correlation Study of Chemisorption of Atomic Oxygen on Li BCC Clusters,” (with A. S. Hira), Journal of Physics B, 24, 881-896 (1991).
“An Ab Initio Study of H Chemisorption on Li Clusters in FCC(110) and FCC(111) Symmetries,” (with A. S. Hira), Surface Science, 249, 199-212 (1991).
“On the Existence and Stability of Small K_nMg Clusters,” (with S. D. Altekar), Journal of Physics: Condensed Matter 3, 8319-8326 (1991).
“A Correlation Study of Large Potassium Cationic Clusters,” (with K. M. Kanal and I. A. Howard), Physica Status Solidi, 167, 465-475 (1991).
“Lithium Atom Chemisorption on Silicon Clusters,” (with S. N. Ekpenuma), Surface Science, 257, L659-L664 (1991).

1990

“A Correlation Study of H Interaction with Li Clusters in BCC(111) Symmetry,” (with A. S. Hira), Surface Science, 234, 397-411 (1990).
“An Ab Initio Study of Small Potassium Cationic Clusters,” (with S. D. Altekar), Physica Status Solidi, 161, 463-472 (1990).
“An Ab Initio Study of Neutral K_nNa and Cationic K_nNa⁺ Clusters,” (with S. P. Berry), Journal of Physics B, 23, 2365-2377 (1990).
“Ab Initio Many Body Perturbation Theoretic Study of Small Potassium Clusters,” (with S. D. Altekar), Physical Review B, 42, 1444-1447 (1990).

1989

“Ab Initio Many Body Perturbation Theoretic Study of Sodium Cationic Clusters,” Solid State Communications, 72, 1051-1056 (1989).
“Short Range Form of the Charge Distribution of ⁴He and Its Charge Form Factor,” (with M. A. K. Lodhi and C. Yalcin), IL Nuovo Cimento, 101A, 155-162 (1989).
“Ab Initio Many Body Perturbation Theoretic Study of Small Sodium Clusters,” Solid State Communications, 71, 311-316 (1989).
“A Note on the Bhatia Theory of Liquid NaSn Alloys,” (with W. H. Young), Physics and Chemistry of Liquids, 19, 7-9 (1989).
“A Hartree-Fock Study of Ionized Carbon Clusters,” (with M. S. Islam), Journal of Physics B, 22, 2071-2079 (1989).
“Ab Initio Study of H Chemisorption on Li Clusters in FCC(100) Symmetry,” (with A. S. Hira), Physical Review B, 40, 3507-3513 (1989).

1988

“Many Body Perturbation Theory Applied to Hydrogen Interaction with Lithium Clusters,” (with A. S. Hira), Physical Review B, 37, 9943-9950 (1988).
“Many Body Perturbation Theory Applied to Small Germanium Clusters,” (with M. S. Islam), Chemical Physics Letters, 153, 496-502 (1988).

1987

“A Hartree-Fock Study of Carbon Clusters,” Journal of Physics B, 20, 5233-5239 (1987).
“A Theoretical Study of Carbon Clusters: Equilibrium Geometries and Electronic Structures of C_n” (with L. S. Ott), Proceedings of the NATO Advanced Workshop and International Symposium on the Physics and Chemistry of Small Clusters, Plenum Publishing, New York, 95-101 (1987).
“An Ab Initio Study of the Interaction of Atomic Hydrogen with Lithium Clusters,” (with A. S. Hira and J. L. Fry), Proceedings of the NATO Advanced Workshop and International Symposium on the Physics and Chemistry of Small Clusters, Plenum Publishing, New York, 413-419 (1987).
“Response to Comment on Surface Effects in Cluster Calculations of Energy Profiles of Mu in Diamond,” (with S. Estreicher, J. L. Fry and D. S. Marynick), Physical Review Letters, 57, 3301 (1987).

1986

“Interstitial Hydrogen in Diamond: A Detailed Hartree-Fock Analysis,” (with S. Estreicher, J. L. Fry and D. S. Marynick), Physical Review B, 34, 6071-6079 (1986).
“Electron Transport in Layered Media by Invariant Imbedding,” (with P. Nelson and J. C. Garth), Proceedings of the Conference on Integral Methods in Science and Engineering, Hemisphere Publishing, 37-53 (1986).
“Minimal Basis-Set SCF-MO Calculations on Aggregates of Lithium and Beryllium Atoms,” Journal of Physics B, 19, 1253-1259 (1986).
“A Study of Positron Diffusion and Annihilation in Gases,” (with S. R. Kafle, J. L. Fry and S. C. Sharma), Proceedings of Seventh International Conference on Positron Annihilation, World Scientific Publishing, 359-361 (1986).

1985

“A Configuration Interaction Study of Small Lithium Clusters,” (with J. L. Fry and C. W. Myles), Journal of Physics B, 18, 381-386 (1985).
“Electronic Structure Calculations on R-NO₂ Species, R=H, CH_3, NH_2, HO and F,” (with D. S. Marynick and J. L. Fry), Chemical Physics Letters, 116, 429-433 (1985).
“Surface Effects in Cluster Calculations of Energy Profiles of Mu in Diamond,” (with S. Estreicher, J. L. Fry and D. S. Marynick), Physical Review Letters, 55, 1976-1978 (1985).

1984

“Optical Absorption of Solid Xenon at High Pressure,” (with S. B. Trickey and A. B. Kunz), Physica Status Solidi, 121, K47-50 (1984).
“Central Depression in ⁴He Charge Density and Form Factor,” (with M. A. K. Lodhi), Proceedings of International Conference on Nuclear Physics, (Tipografia Compositori, Bologna), Vol. I, 321 (1984).
“The Electronic Structure of Nitromethane: A Multi-Configurational Self-Consistent-Field Study,” (with D. S. Marynick, J. L. Fry and D. A. Kleier), Journal of Molecular Structure, 108, 45-48 (1984).
“Computational Study of the Upwind Finite-Difference Method,” (with P. Nelson and D. L. Seth), Transactions of the American Nuclear Society, 46, 436-438 (1984).

1983

“GCM Treatment of Some Model Periodic Systems,” (with L. R. Kauder and S. B. Trickey), International Journal of Quantum Chemistry, 23, 1355-1361 (1983).
“Computation of Electron Transport in Layered Media by Invariant Imbedding,” (with P. Nelson and J. C. Garth), Advances in Reactor Computations, American Nuclear Society, Vol. II, 623-633 (1983).

1982

“BCC-FCC Allotropy, F-Bands, and Metallization in Xenon and Krypton,” (with S. B. Trickey and A. B. Kunz), Solid State Communications, 41, 351-353 (1982).

1981

“Augmented Plane Wave to Gaussian Orbital Conversion Procedure: One Electron States and Compton Profiles of FCC Neon,” (with S. B. Trickey), Physical Review B, 24, 1751-1760 (1981).
“Adequacy of Local Exchange Excitation Hamiltonians in Insulators,” (with S. B. Trickey and J. P. Worth), Physica Status Solidi, 106, 613-620 (1981).
“Oscillation and Comparison Theorems for y’’(x) + l a (x) y(x) = 0,” (with R. M. Anderson), Journal of Mathematical Analysis and Applications, 83, 100-109 (1981).

1980

“Lattice Constant at the Insulator-Metal Transition of Crystalline Xenon,” (with S. B. Trickey, R. S. Weidman and A. B. Kunz), Physical Review Letters, 45, 933-935 (1980).
“More Corrections to the Sixth Order Anomalous Magnetic Moment of the Muon”, (with M. L. Laursen and M. A. Samuel), Zeitschrift fur Physik, 6C, 3-6 (1980).
“An Automatic Error-Control Technique for Computations of Eigenlengths,” (with P. Nelson), Journal of Computational Physics, 37, 388-398 (1980).

1979

“Possible Muonic Transitions and X-Ray Spectra from Superheavy Elements,” (with S. wald and M. A. K. Lodhi), Proceedings of International Conference on Superheavy Elements, Pergamon Press, New York, 442-450 (1979).
“Exact Calculations for Penetrability and the Prediction of the Spontaneous Fission Half-Lives of Superheavy Elements,” (with S. Wald and M. A. K. Lodhi), Proceedings of International Conference on Superheavy Elements, Pergamon Press, New York, 467-478, (1979).
“A Unique Parameterization for the Transition Potential in Muonic X-Rays,” (with S. Wald and Y. N. Kim), Zeitschrift fur Physik, 289A, 391-394 (1979).
“A Theoretical Result on the Effectiveness of the Addition Formulae for Two-Point Boundary Systems,” (with P. Nelson and G. M. Wing), Journal of Mathematical Analysis and Applications, 67, 392-399 (1979).

1978

“On the Effectiveness of the Inverse Riccati Transformation in the Matrix Case,” (with P. Nelson and G. M. Wing), Journal of Mathematical Analysis and Applications, 65, 201-210 (1978).

1976

Invited Paper: “Model-Independent Determination of Nuclear Radii,” (with Y. N. Kim and S. Wald), Proceedings of the Second Nuclear Conference of the European Physical Society, Vol. II, 34-52, Cracow, Poland (1976).