Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 11

Results: 12

Cover Image, Volume 116, Issue 11.

Published in:: International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. i, doi. 10.1002/qua.25148
Publication type:: Article

Mathematical thoughts in DFT.

Published in:

2016

By:

Levy, Mel

Publication type:

Other

Euler equation for descriptors of the spherically symmetric coulomb systems.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 862, doi. 10.1002/qua.25082

By:

Nagy, Ágnes

Publication type:

Article

Relevance of semi-core-valence interaction for exact exchange calculations for group IVA, IIIA-VA, and IIB-VIA semiconductors.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 867, doi. 10.1002/qua.25092

By:

Engel, Eberhard

Publication type:

Article

Understanding machine-learned density functionals.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 819, doi. 10.1002/qua.25040

By:

Li, Li;
Snyder, John C.;
Pelaschier, Isabelle M.;
Huang, Jessica;
Niranjan, Uma ‐ Naresh;
Duncan, Paul;
Rupp, Matthias;
Müller, Klaus ‐ Robert;
Burke, Kieron

Publication type:

Article

Density functional theory for d- and f-electron materials and compounds.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 834, doi. 10.1002/qua.25097

By:

Mattsson, Ann E.;
Wills, John M.

Publication type:

Article

Advances in DFT.

Published in:

2016

By:

Nagy, Á.

Publication type:

Editorial

Alternative Ornstein-Zernike models from the homogeneous electron liquid for density functional theory calculations.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 852, doi. 10.1002/qua.25081

By:

Cuevas ‐ Saavedra, Rogelio;
Thompson, David C.;
Ayers, Paul W.

Publication type:

Article

Chemical and ionization potentials: Relation via the Pauli potential and NOF theory.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 805, doi. 10.1002/qua.25039

By:

Piris, M.;
March, N. H.

Publication type:

Article

Semilocal density functionals and constraint satisfaction.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 847, doi. 10.1002/qua.25100

By:

Perdew, John P.;
Sun, Jianwei;
Martin, Richard M.;
Delley, Bernard

Publication type:

Article

A road to a multiconfigurational ensemble density functional theory without ghost interactions.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 880, doi. 10.1002/qua.25107

By:

Pastorczak, Ewa;
Pernal, Katarzyna

Publication type:

Article

Issue information.

Published in:: International Journal of Quantum Chemistry, 2016, v. 116, n. 11, p. 795, doi. 10.1002/qua.25125
Publication type:: Article