James Emil Avery
Associate Professor
Programming Languages and Theory of Computing
Universitetsparken 5
2100 København Ø
- 2013
- 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 › Research › peer-review
- 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
- 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 › Research › 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
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
- 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
- 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
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 › Research › peer-review
- 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
ID: 2819
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436
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The topology of fullerenes
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
186
downloads
Naming polyhedra by general face-spirals: theory and applications to fullerenes and other polyhedral molecules
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
145
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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 › Research › peer-review
Published