James Emil Avery
Associate Professor
Programming Languages and Theory of Computing
Universitetsparken 5
2100 København Ø
- 2015
- 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 › Research › peer-review
- 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
- 2014
- 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 › Research › peer-review
- 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 › Research › peer-review
- 2013
- 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 › 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 › 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
ID: 2819
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431
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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
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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