James Emil Avery
Associate Professor
Programming Languages and Theory of Computing
Universitetsparken 5
2100 København Ø
- 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
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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 › Research › peer-review
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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
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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 › Research › peer-review
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
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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 › 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
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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 › Research › peer-review
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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 › Research › peer-review
- 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 › Research › peer-review
ID: 2819
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432
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The topology of fullerenes
Research output: Contribution to journal › Journal article › Research › peer-review
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186
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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