Analysis of separable potentials

Cited by (598)

Items 401–500 of 598

1. Theoretical Simulations of 0.25 Monolayer Iodine Adsorption on Cu(100)
   P. Mikołajczyk, Barbara Stankiewicz · 2008 · Acta Physica Polonica A
2. A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(001) surface
   R. H. Miwa, Walter Orellana, G. P. Srivastava · 2007 · Applied Surface Science
3. Hydrogen passivation of beryllium inp-type GaAs
   C. Wang, Q.-M. Zhang · 2001 · Physical review. B, Condensed matter
4. Études ab initio et dynamique moléculaire des propriétés structurales et thermodynamiques de la calcite et la witherite sous hautes pressions
   Aaeid Ayoub · 2010
5. Advanced Monte Carlo methods
   Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
6. Interaction of Cl2 molecules with GaAs(110) surface
   A Marcellini, Carlo Antonio Pignedoli, Mauro Ferrario, C. M. Bertoni · 1998 · Surface Science
7. Ab initio investigation of the passivation effect of the acrylonitrile molecule on the Si(100)-(2×1) surface
   Demet Usanmaz, G.P. Srivastava · 2014 · Chemical Physics
8. Atomic and electronic structure of rigid carbon atomic chains
   Demet Usanmaz, G. P. Srivastava · 2012 · physica status solidi (a)
9. Self-consistent Shaw optimized model potential: Application to the determination of structural and atomic transport properties of liquid alkali metals by molecular dynamics simulations
   N. Harchaoui, Slimane Hellal, J.G. Gasser, B. Grosdidier · 2010 · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics
10. First principles calculations of monolayer compressibilities
    Cristián Gabriel Sánchez, Ezequiel P. M. Leiva · 1998 · Electrochimica Acta
11. Discretized path integral molecular dynamics with a non-local pseudopotential: simulation of the 3s and 3p states in the sodium atom
    Ghassan Elie Jabbour, Pierre Alix Deymier · 1994 · Modelling and Simulation in Materials Science and Engineering
12. Complexes and Clusters
    G. Ciatto · 2014 · Springer series in optical sciences/SPringer series in optical sciences
13. First-principles study of atomic and electronic structure of Bi/InP (001)-α 2 (2 × 4) and β 2 (2 × 4) surfaces
    M. Hashassi, A Ramzi, Kouloud Kourchid, A. Rebey, Mourad Mbarki · 2019 · Materials Research Express
14. MANIFESTATION OF DEFORMATION EFFECT IN BAND SPECTRA IN CRYSTALS WITH INHOMOGENEOUS BONDING
    Bercha, Rushchanskii, Slipukhina, Bercha · 2003 · Condensed Matter Physics
15. Long-range forces
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
16. Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation
    Aleksei Vasilievich Goncharov, Andrey N. Chibisov · 2023 · Advanced Theory and Simulations
17. Spontaneous Formation and Stability of GaP Cage Structures: A Theoretical Prediction of a New Fullerene
    Francesco Buda, Valentina Tozzini, Annalisa Fasolino · 2001 · MRS Proceedings
18. Electrical Resistivity of Na–K Binary Liquid Alloy Using Ab-Initio Pseudopotentials
    Anil Thakur, P. K. Ahluwalia · 2005 · Chinese Physics Letters
19. Sb-covered GaAs(111)B-(3×8) surface: a theoretical study
    R. H. Miwa, G.P. Srivastava · 2001 · Surface Science
20. On the Calculation of the Interaction Potential in Multiatomic Systems
    O. A. Gorkusha, V. G. Zavodinsky · 2019 · Computational Mathematics and Mathematical Physics
21. Structure and energetics of As dimers on GaAs:(chalcogen) (001) surfaces and GaAs/Te/InAs interface
    R. H. Miwa, Ana Carolina Carvalho Ferraz · 1998 · Applied Surface Science
22. Green function for crystal surfaces I
    Bernd Wenzien, Jörg Bormet, Matthias Scheffler · 1995 · Computer Physics Communications
23. Aluminum break-point contacts
    Martina Heinemann, R. A. de Groot · 1997 · Physical review. B, Condensed matter
24. Tuning band offsets at the AlAs/GaAs interface by group-IV intralayer deposition
    R. H. Miwa, Ana Carolina Carvalho Ferraz · 1999 · Physical review. B, Condensed matter
25. Atomically Smooth Ultrathin Oxide Layers on SI(113)
    H.‐J. Müssig, J. Dąbrowski, S. Hinrich · 1999 · MRS Proceedings
26. Structure of the GaP(001)−4×2-In surface investigated with LEED, STM, photoelectron spectroscopy, andab initiocalculations
    Masaru Shimomura, D. Ichikawa, G. P. Srivastava, K. Z. Liu, Yasuo Fukuda · 2008 · Physical Review B
27. Microscopic Theory of Wetting and Adhesion in Metal-Carbonitride Systems
    S. V. Dudiy · 2002 · Gothenburg University Publications Electronic Archive (Gothenburg University)
28. Chemical bonding features for faultily stacked interfaces of GaAs{111}
    Jun Nakamura, Tetsuya D. Mishima, Moto-hisa Masui, Mineo Sawayanagi, Sung-Pyo Cho, Masayasu Nishizawa, Toyoaki Eguchi, Toshiaki Ōsaka · 1998 · Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena
29. Multiscale molecular modeling and simulation of carbon nanotubes
    Su Hoe Yeak · 2007
30. STUDY OF FERROELECTRIC SWITCHING PROCESS IN HAFNIUM OXIDE AND HZO CRYSTALS
    Karine Karlenovna Abgaryan, Andrey Zhuravlev, Д. Л. Ревизников · 2023 · International Conference on Mathematical Modeling in Materials Science of Electronic Components (MMMSEC)
31. Theory of Nitrogen-Hydrogen Complexes in N-containing III–V Alloys
    Aldo Amore Bonapasta, F. Filippone · 2005 · Elsevier eBooks
32. Energy Band Gap Modification of Graphene Deposited on a Multilayer Hexagonal Boron Nitride Substrate
    Celal Yelgel, Gyaneshwar P. Srivastava · 2012 · MRS Proceedings
33. The structure of molten germanium from ab initio pseudopotential-based pair potentials
    Slimane Hellal, J.G. Gasser, B. Grosdidier · 2007 · Journal of Non-Crystalline Solids
34. Periodic solids and electron bands
    Richard M. Martin · 2004 · Cambridge University Press eBooks
35. Synthesis and characterization of GeNx films with different nitrogen ratios: An experimental and DFT analysis
    Birsen Kesik Zeyrek, Fahrettin Sarcan, Konstantin Petrovich Katin, Savaş Kaya, Fatih Ungan, Ayşe Erol, Ebru Şenadım Tüzemen · 2025 · Solid State Sciences
36. Localization of intrinsic defects in CaF2–BaF2 superlattices
    Ricardo Kagimura, Hélio Chacham, T. M. Schmidt, R. H. Miwa · 2003 · Applied Physics Letters
37. The Kohn–Sham auxiliary system
    Richard M. Martin · 2004 · Cambridge University Press eBooks
38. Some tricks of the trade
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
39. Quantum simulations
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
40. Mesoscale methods
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
41. Inhomogeneous fluids
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
42. CONJUGATED MODELING OF DEFECT FORMATION DURING GROWTH AND HEAT ANNEALING OF DISLOCATION-FREE SILICON SINGLE CRYSTALS
    Natalia Vererzub, Anatoly Ivanovich Prostomolotov · 2023 · International Conference on Mathematical Modeling in Materials Science of Electronic Components (MMMSEC)
43. An introduction to first-principles simulations of extended systems
    Fabio Finocchi, Jacek Goniakowski, Xavier Gonze, Cesare Pisani · 2003 · Handbook of numerical analysis
44. Novel core effects in overlayers: Adsorption-induced buckling enhancement
    Takahisa Ohno, Kenji Shiraishi · 1994 · Solid State Communications
45. Electronic and geometric investigations of the Ca/Si(111)-() surface
    A.Z. AlZahrani, G.P. Srivastava · 2008 · Applied Surface Science
46. GaN growth process using GaP(1 1 1)A and (1 1 1)B surfaces as an initial substrate
    Yuriko Matsuo, Nobuhiko Kawaguchi, Marie Fujino, Yoshihiro Kangawa, Yoshinao Kumagai, Toshiharu Irisawa, Akinori Koukitu · 2004 · Journal of Crystal Growth
47. Theory of Defects, Doping, Surfaces and Interfaces in Wide Gap Nitrides
    J. Bernholc, Piotr Bogusławski, E. L. Briggs, Marco Buongiorno Nardelli, B. Chen, Krzysztof Rapcewicz, Z. Zhang · 1996 · MRS Proceedings
48. First-principles total-energy calculations of atomic and electronic structure in relaxed Si1−x−yGexCy
    Mari Ohfuti, M. Ikeda, Yuji Awano, Naoki Yokoyama · 1999 · Physical review. B, Condensed matter
49. A theoretical study of the stability and electronic properties of a GaAs/Te/InAs interface
    R. H. Miwa, Ana Carolina Carvalho Ferraz · 1998 · Journal of Physics Condensed Matter
50. Spin polarization and the energetics of chlorine adsorption on the GaAs(110) surface
    Hway Chuan Kang · 1998 · The Journal of Chemical Physics
51. Iterative methods in electronic structure
    Richard M. Martin · 2004 · Electronic Structure
52. Atomic geometry and electronic states on GaAs(111)A–Se()
    Katawut Chuasiripattana, R. H. Miwa, G. P. Srivastava · 2004 · Surface Science
53. Atomistic simulations for material processes within multiscale method
    Chol‐Jun Yu, Heike Emmerich · 2009 · RWTH Publications (RWTH Aachen)
54. Iterative Methods in Electronic Structure
    Richard M. Martin · 2020 · Electronic Structure
55. Adiabatic Approximation
    Richard M. Martin · 2020 · Electronic Structure
56. Random numbers
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
57. Calculation of forces and torques
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
58. Reduced units
    Michael Patrick Allen, Dominic J. Tildesley · 2017 · Oxford University Press eBooks
59. Coulomb interactions in extended systems
    Richard M. Martin · 2004 · Electronic Structure
60. Chapter 6 Electronic screening in metals: from phonons to plasmons
    A. G. Eguiluz, Andrew A. Quong · 1995 · Dynamical properties of solids
61. Alternative force expressions
    Richard M. Martin · 2004 · Electronic Structure
62. Augmented functions: APW, KKR, MTO
    Richard M. Martin · 2004 · Cambridge University Press eBooks
63. Excitation spectra and optical properties
    Richard M. Martin · 2004 · Cambridge University Press eBooks
64. Realistic Calculations in Solids
    Michael P Marder · 2010 · Condensed Matter Physics
65. Clustering and Correlations on GaAs — Metal Interface
    Oleg Pankratov, Matthias Scheffler · 1993 · Springer eBooks
66. The stability of a GaAs(001)-(2 × 4) surface with Si adatoms
    Kiyotaka Komoku, Kenji Shiraishi, Tomonori Ito, Iwao Teramoto · 1997 · Applied Surface Science
67. Bi-covered InAs(110) surfaces: An ab initio study
    R. H. Miwa, Eduardo Kojy Takahashi · 2004 · Surface Science
68. Energies and Forces
    F. Bechstedt · 2014 · Springer series in solid-state sciences
69. Electric Field Induced Recombination Centers in GaAs
    Atsushi Kawaharazuka, Kenji Shiraishi, Yoshiji Horíkoshi · 1998 · Japanese Journal of Applied Physics
70. Iteratively generated pseudopotentials in electronic structure calculations
    Akitaka Sawamura, Tomohiro Keishi, Mikio Kaji · 2000 · Japan Journal of Industrial and Applied Mathematics
71. Theoretical investigation of atomic structure and electronic properties of Ca/Si(110)-(2×1) reconstruction
    A.Z. AlZahrani · 2011 · Thin Solid Films
72. Ab-Initio Calculations for the Electronic Spectra of Cubic and Hexagonal Boron Nitride
    Guido Satta, Giancarlo Cappellini, Valério Olevano, Lucia Reining · 2004 · MRS Proceedings
73. Simulating Stm Images for the Gaas (110) Surface
    James R. Chelikowsky, Hanchul Kim · 1997 · MRS Proceedings
74. Ab initio calculations of surface structure and electronic properties caused by adsorption of Ca atoms on a Si(110) surface
    A.Z. AlZahrani · 2011 · Physica B Condensed Matter
75. Progressive changes in atomic structure and gap states on Si(001) by Bi adsorption
    Katawut Chuasiripattana, G.P. Srivastava · 2004 · Surface Science
76. Atomic and Electronic Structure of Multilayer Graphene on a Monolayer Hexagonal Boron Nitride
    Celal Yelgel, Gyaneshwar P. Srivastava · 2013 · MRS Proceedings
77. Computational Modelling of Atomic-Scale Defect Phenomena in Compound Semiconductors
    R. M. Nieminen, T. Mattila, Sami Pöykkö · 1998 · Springer eBooks
78. Plane waves and grids: basics
    Richard M. Martin · 2004 · Cambridge University Press eBooks
79. Dimer Reconstruction at Metal-Silicide/Silicon Interfaces: A First-Principles Study
    B. D. Yu, Y. Miyamoto, Osamu Sugino, Akira Sakai, Taisuke Sasaki, Takahisa Ohno · 1999 · MRS Proceedings
80. Scattering and phase shifts
    Richard M. Martin · 2004 · Electronic Structure
81. Polarization, Localization, and Berry Phases
    Richard M. Martin · 2020 · Cambridge University Press eBooks
82. New Approach to Pseudopotential Construction
    Donald R. Hamann · 1996 · Kluwer international series in engineering and computer science
83. Localized orbitals: full calculations
    Richard M. Martin · 2004 · Cambridge University Press eBooks
84. Stoichiometry of Nitrogen–Hydrogen Complexes in Dilute Nitrides
    Marina Berti, Gabriele Bisognin, D. De Salvador · 2015
85. Stress from Electronic Structure
    Richard M. Martin · 2020 · Electronic Structure
86. Useful relations and formulas
    Richard M. Martin · 2004 · Electronic Structure
87. Quantum molecular dynamics (QMD)
    Richard M. Martin · 2004 · Cambridge University Press eBooks
88. LSDA and GGA Functionals
    Richard M. Martin · 2020 · Electronic Structure
89. Localized orbitals: tight-binding
    Richard M. Martin · 2004 · Cambridge University Press eBooks
90. Locality and Linear-Scaling O(N) Methods
    Richard M. Martin · 2020 · Cambridge University Press eBooks
91. Dielectric functions and optical properties
    Richard M. Martin · 2004 · Electronic Structure
92. Energy and stress densities
    Richard M. Martin · 2004 · Electronic Structure
93. Eliminating Core Electrons in Electronic Structure Calculations: Pseudopotentials and PAW Potentials
    Stefan Goedecker, Santanu Saha · 2017 · Wiley eBooks
94. Theory of molecular electronics
    Brian Larade · 2002 · eScholarship@McGill (McGill)
95. Topology of the Electronic Structure of a Crystal: Introduction
    Richard M. Martin · 2020 · Cambridge University Press eBooks
96. Two-Band Models: Berry Phase, Winding, and Topology
    Richard M. Martin · 2020 · Cambridge University Press eBooks
97. Quantum Hall Effect and Edge Cond
    Richard M. Martin · 2020 · Electronic Structure
98. Topological Insulators II: Three Dimensions
    Richard M. Martin · 2020 · Cambridge University Press eBooks
99. Pseudopotential generation
    Yigang Cao, Zhengkuan Jiao, Shangshen Feng · 2003 · Journal of Zhejiang University. Science A
100. Response Functions: Phonons and Magnons
     Richard M. Martin · 2020 · Cambridge University Press eBooks