James Emil Avery

Search results

• 2021

  Calculating the number of Hamilton cycles in layered polyhedral graphs

  Wirz, L. N., Schwerdtfeger, P. & Avery, J., Jul 2021, In: Computational and Mathematical Methods in Medicine. 3, 4, 15 p., e1142.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  22 Downloads (Pure)

• Simulating fullerene polyhedral formation from planar precursors

  Heuser, B., Mikkelsen, K. V. & Avery, J. E., 21 Mar 2021, In: Physical Chemistry Chemical Physics. 23, 11, p. 6561-6573 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
• 2019

  Lossy channels in Bohrium

  Kristensen, M. R. B. & Avery, J. E., 2019, Communicating Process Architectures 2017 and 2018, WoTUG-39 and WoTUG-40 - Proceedings of CPA 2017 (WoTUG-39) and Proceedings of CPA 2018 (WoTUG-40). Pedersen, J. B., Chalmers, K., Broenink, J. F., Vinter, B., Vella, K., Welch, P. H., Smith, M. L. & Skovhede, K. (eds.). IMIA and IOS Press, p. 347-360 14 p. (Concurrent Systems Engineering Series, Vol. 70).

  Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

• Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level

  Herbst, M. F., Avery, J. E. & Dreuw, A., 18 Jan 2019, In: Physical Review A. 99, 1, 14 p., 012512.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  13 Citations (Scopus)

  159 Downloads (Pure)
• 2018

  4-center STO interelectron repulsion integrals with Coulomb Sturmians

  Avery, J. E. & Avery, J. S., 2018, In: Advances in Quantum Chemistry. 76, p. 133-146 14 p.

  Research output: Contribution to journal › Conference article › Research › peer-review

  File
  6 Citations (Scopus)

• Array streaming for array programming

  Kristensen, M. R. B. & Avery, J. E., 1 Feb 2018, In: International Journal of Computational Science and Engineering. 17, 3, p. 263-282

  Research output: Contribution to journal › Journal article › Research › peer-review

• Chains, antichains, and complements in infinite partition lattices

  Avery, J. E., Moyen, J-Y., Ruzicka, P. & Simonsen, J. G., 2018, In: Algebra Universalis. 79, 37, 21 p., 37.

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  4 Citations (Scopus)

• Naming polyhedra by general face-spirals: theory and applications to fullerenes and other polyhedral molecules

  Wirz, L., Schwerdtfeger, P. & Avery, J. E., 3 Oct 2018, In: Fullerenes Nanotubes and Carbon Nanostructures. 26, 10, p. 607-630 24 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  9 Citations (Scopus)

  215 Downloads (Pure)

• Toward quantum-chemical method development for arbitrary basis functions

  Herbst, M. F., Dreuw, A. & Avery, J. E., 28 Aug 2018, In: Journal of Chemical Physics. 149, 8, 15 p., 084106.

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  9 Citations (Scopus)

• Visualizing Automorphisms of Graph Algebras

  Avery, J. E., Johansen, R. & Szymanski, W., 11 Feb 2018, In: Proceedings of the Edinburgh Mathematical Society. 61, 1, p. 215-249 35 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  10 Citations (Scopus)

• Wave Equations Without Coordinates I: Fullerenes

  Avery, J. E., 2 Sep 2018, In: Rendiconti Lincei. Scienze Fisiche e Naturali. 29, 3, p. 609-621

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  2 Citations (Scopus)
• 2017

  A chainlike relative coordinate system for few-particle problems

  Avery, J. E. & Avery, J. S., 2017, In: Journal of Mathematical Chemistry. 55, 2, p. 584-597 14 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  1 Citation (Scopus)

• Hyperspherical Harmonics and Their Physical Applications

  Avery, J. E. & Avery, J. S., 2017, Singapore: World Scientific. 300 p.

  Research output: Book/Report › Book › Research › peer-review
  26 Citations (Scopus)
• 2016

  Battling memory requirements of array programming through streaming

  Kristensen, M. R. B., Avery, J. E., Blum, T., Lund, S. A. F. & Vinter, B., 2016, In: Lecture notes in computer science. 2016, p. 451-469 19 p.

  Research output: Contribution to journal › Conference article › Research › peer-review
  3 Citations (Scopus)

• Fusion of parallel array operations

  Kristensen, M. R. B., Lund, S. A. F., Blum, T. & Avery, J. E., 2016, PACT' 16: Proceedings of the 2016 International Conference on Parallel Architectures and Compilation. Association for Computing Machinery, p. 71-85 15 p.

  Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research

  File
  14 Citations (Scopus)
• 2015

  Molecular integrals for exponential-type orbitals using hyperspherical harmonics

  Avery, J. E. & Avery, J. S., 2015, Advances in quantum chemistry. Elsevier, p. 265-324 60 p. (Advances in Quantum Chemistry, Vol. 70).

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  File
  8 Citations (Scopus)

• Rapid evaluation of molecular integrals with ETOs

  Avery, J. S. & Avery, J. E., 5 Aug 2015, In: International Journal of Quantum Chemistry. 115, 15, p. 930-936

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  3 Citations (Scopus)
• 2014

  Molecular integrals for slater type orbitals using coulomb sturmians

  Avery, J. E. & Avery, J. S., 12 Jan 2014, In: Journal of Mathematical Chemistry. 52, 1, p. 301-312 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  8 Citations (Scopus)

• The topology of fullerenes

  Schwerdtfeger, P., Wirz, L. & Avery, J. E., 1 Nov 2014, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 5, 1, p. 96-145

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  194 Citations (Scopus)

  649 Downloads (Pure)
• 2013

  Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians

  Avery, J. E., 2 Jan 2013, Advances in Quantum Chemistry,: PROCEEDINGS OF MEST 2012: EXPONENTIAL TYPE ORBITALS FOR MOLECULAR ELECTRONIC STRUCTURE THEORY. Vol. 67. p. 129-151 (Advances in Quantum Chemistry).

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
  11 Citations (Scopus)

• Program Fullerene: a software package for constructing and analyzing structures of regular fullerenes

  Wirz, L., Peter, S. & Avery, J. E., 4 Apr 2013, In: Journal of Computational Chemistry. 34, 17, p. 1508-1526 18 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  85 Citations (Scopus)

• Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms

  Wirz, L., Tonner, R., Avery, J. E. & Schwerdtfeger, P., 6 Dec 2013, In: Journal of Chemical Information and Modeling. 54, 1, p. 121-130

  Research output: Contribution to journal › Journal article › Research › peer-review
  8 Citations (Scopus)
• 2012

  Coulomb Sturmians as a basis for molecular calculations

  Avery, J. S. & Avery, J. E., 2012, In: Molecular Physics. 110, 15-16, p. 1593-1608 16 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  14 Citations (Scopus)

• Sturmians and generalized sturmians in quantum theory

  Avery, J. S. & Avery, J. E., 2012, Molecular electronic structures of transition metal complexes II. Mingos, D. M. P., Day, P. & Dahl, J. P. (eds.). Springer, p. 53-99 47 p. (Structure and Bonding, Vol. 143).

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
  3 Citations (Scopus)
• 2011

  New Computational Methods in the Quantum Theory of Nano-Structures

  Avery, J. E., 2011, University of Copenhagen.

  Research output: Book/Report › Ph.D. thesis › Research

• Symmetry Adapted Basis Sets: Automatic Generation for Problems in Chemistry and Physics

  Avery, J. S., Rettrup, S. & Avery, J. E., 1 Oct 2011, World Scientific. 256 p.

  Research output: Book/Report › Book › Research › peer-review

• The Generalized Sturmian Method

  Avery, J. E. & Popelier, P. (ed.), 1 Nov 2011, Solving the Schrödinger Equation: Has Everything Been Tried?. Imperial College Press, 34 p.

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
  4 Citations (Scopus)
• 2010

  Static complexity analysis of higher order programs

  Avery, J. E., Kristiansen, L. & Moyen, J-Y., 2010, Foundational and Practical Aspects of Resource Analysis: First International Workshop, FOPARA 2009, Eindhoven, The Netherlands, November 6, 2009, Revised Selected Papers. van Eekelen, M. & Shkaravska, O. (eds.). Springer, p. 84-99 16 p. (Lecture notes in computer science, Vol. 6324).

  Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
  2 Citations (Scopus)
• 2009

  Can Coulomb Sturmians Be Used as a Basis for N-Electron Molecular Calculations?

  Avery, J. S. & Avery, J. E., 6 Oct 2009, In: Journal of Physical Chemistry A. 113, 52, p. 14565–14572 8 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  11 Citations (Scopus)

• Static Complexity Analysis of Higher Order Programs

  Avery, J. E., Kristiansen, L. & Moyen, J-Y., 2009, FOPARA 2009: Preliminary Proceedings. van Eekelen, M. & Olha, S. (eds.). p. 34-49 16 p.

  Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research
• 2008

  Atomic core-ionization energies; approximately piecewise-linear and linear relationships

  Avery, J. E. & Avery, J. S., 5 Aug 2008, In: Journal of Mathematical Chemistry. 46, 1, p. 164-181 17 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  5 Citations (Scopus)
• 2006

  Generalized Sturmians and Atomic Spectra

  Avery, J. E. & Avery, J., 2006, 1 ed. World Scientific. 240 p.

  Research output: Book/Report › Book › Research › peer-review

• Size-change termination and bound analysis

  Avery, J. E., 2006, Functional and Logic Programming: 8th International Symposium, FLOPS 2006, Fuji-Susono, Japan, April 24-26, 2006. Proceedings. Hagiya, M. & Wadler, P. (eds.). Springer, p. 192-207 16 p. (Lecture notes in computer science, Vol. 3945).

  Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
  18 Citations (Scopus)
• 2005

  Autoionizing states of atoms calculated using generalized sturmians

  Avery, J. E. & Avery, J. S., 2005, Advances in quantum chemistry. Sabin, J. R. & Brändas, E. J. (eds.). Academic Press, p. 103-119 17 p. (Advances in Quantum Chemistry, Vol. 49).

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
  3 Citations (Scopus)
• 2004

  Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

  Avery, J. S., Avery, J. E., Aquilanti, V. & Caligiana, A., 2004, In: Advances in Quantum Chemistry. 47, p. 157-176

  Research output: Contribution to journal › Journal article › Research › peer-review
  8 Citations (Scopus)

• Generalized Sturmian Solutions for Many-Particle Schrödinger Equations

  Avery, J. & Avery, J. E., 2004, In: Journal of Physical Chemistry A. 108 (41: Gert D. Billing Memorial Issue), p. 8848-8851

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access
  15 Citations (Scopus)
• 2003

  Kramers Pairs in configuration interaction

  Avery, J. S. & Avery, J. E., 2003, In: Advances in Quantum Chemistry. 43, p. 185–206 22 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  10 Citations (Scopus)

• Natural Orbitals from Generalized Sturmian Calculations

  Avery, J. S. & Avery, J. E., 2003, In: Advances in Quantum Chemistry. 43, p. 207-216

  Research output: Contribution to journal › Journal article › Research › peer-review
  12 Citations (Scopus)

• The generalized sturmian method for calculating spectra of atoms and ions

  Avery, J. E. & Avery, J. S., 2003, In: Journal of Mathematical Chemistry. 33, p. 145-162

  Research output: Contribution to journal › Journal article › Research › peer-review
  25 Citations (Scopus)