James Emil Avery
Visiting researcher
Programming Languages and Theory of Computing
Universitetsparken 5
2100 København Ø
- 2021
- 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 journal › Journal article › peer-review
- 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 journal › Journal article › peer-review
- 2019
- 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 journal › Journal article › peer-review
- Published
Lossy channels in Bohrium
Kristensen, M. R. B. & Avery, James Emil, 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
- 2018
- 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 journal › Conference article › peer-review
- 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 journal › Journal article › peer-review
- 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 journal › Journal article › peer-review
- Published
Wave Equations Without Coordinates I: Fullerenes
Avery, James Emil, 2 Sep 2018, In: Rendiconti Lincei. Scienze Fisiche e Naturali. 29, 3, p. 609-621Research output: Contribution to journal › Journal article › peer-review
- 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 journal › Journal article › peer-review
- 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. 263-282Research output: Contribution to journal › Journal article › peer-review
- 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 journal › Journal article › peer-review
- 2017
- 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 journal › Journal article › peer-review
- Published
Hyperspherical Harmonics and Their Physical Applications
Avery, James Emil & Avery, J. S., 2017, Singapore: World Scientific. 300 p.Research output: Book/Report › Book › Research › peer-review
- 2016
- 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 journal › Conference article › peer-review
- Published
Fusion of parallel array operations
Kristensen, M. R. B., Lund, S. A. F., Blum, T. & Avery, James Emil, 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
- 2015
- Published
Molecular integrals for exponential-type orbitals using hyperspherical harmonics
Avery, James Emil & 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
- 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. 930-936Research output: Contribution to journal › Journal article › peer-review
- 2014
- 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 journal › Journal article › peer-review
- 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. 96-145Research output: Contribution to journal › Journal article › peer-review
- 2013
- Published
Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians
Avery, James Emil, 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
- 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 journal › Journal article › peer-review
- 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. 121-130Research output: Contribution to journal › Journal article › peer-review
- 2012
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 journal › Journal article › peer-review
- Published
Sturmians and generalized sturmians in quantum theory
Avery, J. S. & Avery, James Emil, 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
- 2011
- Published
New Computational Methods in the Quantum Theory of Nano-Structures
Avery, James Emil, 2011, University of Copenhagen.Research output: Book/Report › Ph.D. thesis › Research
- Published
The Generalized Sturmian Method
Avery, James Emil & 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
- Published
Symmetry Adapted Basis Sets: Automatic Generation for Problems in Chemistry and Physics
Avery, J. S., Rettrup, S. & Avery, James Emil, 1 Oct 2011, World Scientific. 256 p.Research output: Book/Report › Book › Research › peer-review
- 2010
- Published
Static complexity analysis of higher order programs
Avery, James Emil, Kristiansen, L. & Moyen, J., 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
- 2009
- Published
Static Complexity Analysis of Higher Order Programs
Avery, James Emil, Kristiansen, L. & Moyen, J., 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
- 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 journal › Journal article › peer-review
- 2008
- 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 journal › Journal article › peer-review
- 2006
Generalized Sturmians and Atomic Spectra
Avery, James Emil & Avery, J., 2006, 1 ed. World Scientific. 240 p.Research output: Book/Report › Book › Research › peer-review
- Published
Size-change termination and bound analysis
Avery, James Emil, 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
- 2005
- Published
Autoionizing states of atoms calculated using generalized sturmians
Avery, James Emil & 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
- 2004
- 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. 8848-8851Research output: Contribution to journal › Journal article › peer-review
- 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. 157-176Research output: Contribution to journal › Journal article › peer-review
- 2003
- 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. 145-162Research output: Contribution to journal › Journal article › peer-review
- 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 journal › Journal article › peer-review
- Published
Natural Orbitals from Generalized Sturmian Calculations
Avery, J. S. & Avery, James Emil, 2003, In: Advances in Quantum Chemistry. 43, p. 207-216Research output: Contribution to journal › Journal article › peer-review
ID: 2819
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403
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The topology of fullerenes
Research output: Contribution to journal › Journal article › peer-review
Published -
166
downloads
Naming polyhedra by general face-spirals: theory and applications to fullerenes and other polyhedral molecules
Research output: Contribution to journal › Journal article › peer-review
Published -
130
downloads
Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level
Research output: Contribution to journal › Journal article › peer-review
Published