James Emil Avery

2018

4-center STO interelectron repulsion integrals with Coulomb Sturmians

Avery, J. E. & Avery, J. S., 1 Jan 2018, In: Advances in Quantum Chemistry. 76, p. 133-146 14 p.

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

5 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., 1 Jun 2018, In: Algebra Universalis. 79, 37, 21 p., 37.

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

1 Citation (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

7 Citations (Scopus)

14 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

5 Citations (Scopus)

Visualizing Automorphisms of Graph Algebras

Avery, J. E., Johansen, R. & Szymanski, W., 1 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

4 Citations (Scopus)

Wave Equations Without Coordinates I: Fullerenes

Avery, J. E., 1 Sept 2018, In: Rendiconti Lincei. Scienze Fisiche e Naturali. 29, 3, p. 609-621

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

1 Citation (Scopus)

2017

A chainlike relative coordinate system for few-particle problems

Avery, J. E. & Avery, J. S., 1 Feb 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., 1 Jan 2017, Singapore: World Scientific. 300 p.

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

6 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

11 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

8 Citations (Scopus)

Rapid evaluation of molecular integrals with ETOs

Avery, J. S. & Avery, J. E., 1 Aug 2015, In: International Journal of Quantum Chemistry. 115, 15, p. 930-936

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

3 Citations (Scopus)

The topology of fullerenes

Schwerdtfeger, P., Wirz, L. & Avery, J. E., 1 Jan 2015, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 5, 1, p. 96-145

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

114 Citations (Scopus)

276 Downloads (Pure)

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

7 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., 27 Jan 2014, In: Journal of Chemical Information and Modeling. 54, 1, p. 121-130

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

7 Citations (Scopus)

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

9 Citations (Scopus)

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

Wirz, L., Peter, S. & Avery, J. E., 30 Jun 2013, In: Journal of Computational Chemistry. 34, 17, p. 1508-1526 18 p.

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

59 Citations (Scopus)

2012

Coulomb Sturmians as a basis for molecular calculations

Avery, J. S. & Avery, J. E., 10 Aug 2012, In: Molecular Physics. 110, 15-16, p. 1593-1608 16 p.

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

12 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

2 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

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

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

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

7 Citations (Scopus)

The Generalized Sturmian Method

Avery, J. E. & Popelier, P. (ed.), 1 Jan 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

2 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

54 Citations (Scopus)

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

16 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

13 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

9 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

11 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

20 Citations (Scopus)

James Emil Avery

Research output

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