Results 121 to 130 of about 2,401,785 (234)

Density functional theory study of some structural and energetic properties of small lithium clusters [PDF]

, 1996
Georges Gardet, François Rogemond, Henry Chermette   +2 more
openalex   +1 more source

Hydrodynamic density functional theory of simple dissipative fluids

New Journal of Physics
In this paper, a statistical physical derivation of thermodynamically consistent fluid mechanical equations is presented for non-isothermal viscous molecular fluids.
Gyula I Tóth
doaj   +1 more source

Comparison of weighted-density-functional theories for inhomogeneous liquids

, 1990
D. M. Kroll, Brian B. Laird
openalex   +2 more sources

Ensemble density functional theory for inhomogeneous fractional quantum hall systems [PDF]

, 1996
Olle Heinonen, M. I. Lubin, Michael D. Johnson   +2 more
openalex   +1 more source

Nuclear level density from relativistic density functional theory and combinatorial method

Physics Letters B
Nuclear level density is calculated with the combinatorial method based on the relativistic density functional theory including pairing correlations. The Strutinsky method is adopted to smooth the total state density in order to refine the prediction at ...
X.F. Jiang, X.H. Wu, P.W. Zhao, J. Meng
doaj  

Efficient real-space approach to time-dependent density functional theory for the dielectric response of nonmetallic crystals [PDF]

, 2000
F. Kootstra, P. L. de Boeij, J. G. Snijders   +2 more
openalex   +1 more source

Relativistic orbital-free kinetic energy density functional for one-particle nuclear systems [PDF]

arXiv
This letter aims to derive the exact relativistic orbital-free kinetic energy density functional for one-particle nuclear systems in one-dimensional case. The kinetic energy is expressed as a functional of both vector and scalar densities. The functional derivatives of the kinetic energy density functional are also derived.
arxiv  

Application of Density Functional Theory to the Study of the Reaction of NO with Char-Bound Nitrogen during Combustion [PDF]

, 2000
Alejandro Montoya, Thanh N. Truong, Adel F. Sarofim   +2 more
openalex   +1 more source

Density functional theory and pseudopotentials: A panacea for calculating properties of materials

, 1997
Marvin L. Cohen
openalex   +2 more sources

A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane [PDF]

, 2000
William Adcock, M. J. Brunger, I. E. McCarthy, Marek T. Michalewicz, W. von Niessen, Feng Wang, E. Weigold, David A. Winkler   +7 more
openalex   +1 more source