James Emil Avery

James Emil Avery

Associate Professor


  1. 2021
  2. Published

    Calculating the number of Hamilton cycles in layered polyhedral graphs

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Simulating fullerene polyhedral formation from planar precursors

    Heuser, B., Mikkelsen, Kurt Valentin & Avery, James Emil, 21 Mar 2021, In: Physical Chemistry Chemical Physics. 23, 11, p. 6561-6573 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 2019
  5. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. 2018
  7. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. Published

    Wave Equations Without Coordinates I: Fullerenes

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. Published

    Toward quantum-chemical method development for arbitrary basis functions

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. Published

    Visualizing Automorphisms of Graph Algebras

    Avery, James Emil, 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 journalJournal articleResearchpeer-review

  11. Published

    Array streaming for array programming

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. Published

    4-center STO interelectron repulsion integrals with Coulomb Sturmians

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

    Research output: Contribution to journalConference articleResearchpeer-review

  13. Published

    Chains, antichains, and complements in infinite partition lattices

    Avery, James Emil, Moyen, J., Ruzicka, P. & Simonsen, Jakob Grue, 2018, In: Algebra Universalis. 79, 37, 21 p., 37.

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. 2017
  15. Published

    A chainlike relative coordinate system for few-particle problems

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. 2016
  17. Published

    Battling memory requirements of array programming through streaming

    Kristensen, M. R. B., Avery, James Emil, 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 journalConference articleResearchpeer-review

  18. 2015
  19. Published

    Rapid evaluation of molecular integrals with ETOs

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 2014
  21. Published

    The topology of fullerenes

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  22. Published

    Molecular integrals for slater type orbitals using coulomb sturmians

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. 2013
  24. Published

    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, James Emil & Schwerdtfeger, P., 6 Dec 2013, In: Journal of Chemical Information and Modeling. 54, 1, p. 121-130

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  26. 2012
  27. Coulomb Sturmians as a basis for molecular calculations

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  28. 2009
  29. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  30. 2008
  31. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. 2004
  33. Published

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

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. Published

    Generalized Sturmian Solutions for Many-Particle Schrödinger Equations

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  35. 2003
  36. Published

    Kramers Pairs in configuration interaction

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. Published

    Natural Orbitals from Generalized Sturmian Calculations

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  38. Published

    The generalized sturmian method for calculating spectra of atoms and ions

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

    Research output: Contribution to journalJournal articleResearchpeer-review

ID: 2819