Results 281 to 290 of about 6,241,670 (306)

Density functional calculations for the structure of vortices in superfluid4He

Journal of Low Temperature Physics, 1992
The structure of a rectilinear vortex in superfluid {sup 4}He at zero temperature is studied using a Density Functional method. The superfluid circulation is included via the Feynman-Onsager approximation. The energy and the density profile of a vortex are predicted for several values of the external pressure.
openaire   +1 more source

Dispersion-Corrected Density Functional Calculations

2006
Lin, I-Chun, Tapavicza, Enrico, Countinho-Neto, Mauricio, Tavernelli, Ivano, Rothlisberger, Ursula   +4 more
openaire   +2 more sources

The density functional calculations of clusters ()

Physics Letters A, 2010
Jian-Ning Ding, Chang-Lin Li, Ning-Yi Yuan, Gu-Qiao Ding, Xiao-Shuang Chen, Wei Lu, Guang-Gui Chen, Cheng-Lung Chen   +7 more
openaire   +1 more source

Density Functional Calculations for Atomic Clusters

1979
The density functional approach to the calculation of electronic properties of surfaces and amorphous materials has played a central role in the lectures of this school. In this approach it is possible, within a single-particle picture, to derive equations which determine the total energy of an interacting system of electrons in an external field.
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Structure and superconductivity in compressed Li-Si-H compounds: Density functional theory calculations

Physical Review B, 2020
Jian Lv, Hanyu Liu, Ying Sun
exaly  

Density-functional calculations for excited-state energies

Physical Review A, 1988
, Englisch, , Fieseler, , Haufe
openaire   +2 more sources

Detailed Reaction Paths for Zeolite Dealumination and Desilication From Density Functional Calculations

Angewandte Chemie - International Edition, 2012
Francesca Lønstad Bleken, Stian Svelle, Ole Swang   +2 more
exaly  

Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

Journal of Chemical Physics, 1998
Evert Jan Baerends, S J A van Gisbergen
exaly  

Density Functional Calculations

2006
openaire   +1 more source

Density functional calculations, using Slater basis sets, with exact exchange

Journal of Chemical Physics, 2003
Aron Cohen
exaly