Results 271 to 280 of about 7,360,473 (315)

Density-functional exchange-energy approximation with correct asymptotic behavior.

Physical review. A, General physics, 1988
A. Becke
semanticscholar   +1 more source

Density Estimation for Statistics and Data Analysis

, 1987
Bernard Walter Silverman
semanticscholar   +1 more source

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Journal of Chemical Physics, 2010
S. Grimme, J. Antony, S. Ehrlich, H. Krieg   +3 more
semanticscholar   +1 more source

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Journal of Computational Chemistry, 2006
S. Grimme
semanticscholar   +1 more source

Density-functional theory of atoms and molecules

, 1989
R. Parr
semanticscholar   +1 more source

Improved methods for building protein models in electron density maps and the location of errors in these models.

Acta Crystallographica Section A Foundations of Crystallography, 1991
T. Jones, J. Zou, S. Cowan, M. Kjeldgaard, Serge HAGgGE   +4 more
semanticscholar   +1 more source

Electroceramics for High-Energy Density Capacitors: Current Status and Future Perspectives

Chemical Reviews, 2021
, Zhilun Lu, Linhao Li
exaly  

Formulating energy density for designing practical lithium–sulfur batteries

Nature Energy, 2022
Guangmin Zhou, Hao Chen
exaly  

Toward reliable density functional methods without adjustable parameters: The PBE0 model

, 1999
C. Adamo, V. Barone
semanticscholar   +1 more source