Geometry optimization in density functional methods.

Geometry optimization in density functional methods.

Item
http://www.wikidata.org/entity/Q51998543
Multiple valence superatomsStructural changes of Pd13 upon charging and oxidation/reduction.Metallic and molecular orbital concepts in XMg8 clusters, X = Be-F.Water inhibits CO oxidation on gold cations in the gas phase. Structures and binding energies of the sequential addition of CO, H2O, O2, and N2 onto Au().NMR shielding tensors from auxiliary density functional theory.The discovery of unexpected isomers in sodium heptamers by Born-Oppenheimer molecular dynamics.Robust and efficient density fitting.A MinMax self-consistent-field approach for auxiliary density functional theory.A hierarchical transition state search algorithm.Numerical integration of exchange-correlation energies and potentials using transformed sparse grids.Auxiliary density perturbation theory.Calculation of exchange-correlation potentials with auxiliary function densities.A first-principles study of Ni n Pd n (n = 1 - 5) clusters.Photoelectron imaging and theoretical investigation of bimetallic Bi(1-2)Ga(0-2)(-) and Pb(1-4)(-) cluster anions.
P2860

Geometry optimization in density functional methods.

Item
http://www.wikidata.org/entity/Q51998543
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年學術文章
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name
Geometry optimization in density functional methods.
@en
Geometry optimization in density functional methods.
@nl
type
label
Geometry optimization in density functional methods.
@en
Geometry optimization in density functional methods.
@nl
prefLabel
Geometry optimization in density functional methods.
@en
Geometry optimization in density functional methods.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P356
P1433
P1476
Geometry optimization in density functional methods.
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698