scholarly journals Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response

2014 ◽  
Vol 11 (1) ◽  
pp. 122-131 ◽  
Author(s):  
Eduardo Fabiano ◽  
Lucian A. Constantin ◽  
Pietro Cortona ◽  
Fabio Della Sala
Keyword(s):  
Linear Response ◽  
Local Density ◽  
Atom Theory ◽  
Density Linear

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response

2020 ◽  
Vol 102 (15) ◽  
Author(s):  
Subrata Jana ◽  
Bikash Patra ◽  
Szymon Śmiga ◽  
Lucian A. Constantin ◽  
Prasanjit Samal
Keyword(s):  
Linear Response ◽  
Local Density ◽  
Hybrid Functional ◽  
Atom Theory ◽  
Density Linear

Long-range screened hybrid-functional theory satisfying the local-density linear response

2019 ◽  
Vol 99 (4) ◽  
Author(s):  
Subrata Jana ◽  
Abhilash Patra ◽  
Lucian A. Constantin ◽  
Hemanadhan Myneni ◽  
Prasanjit Samal
Keyword(s):  
Long Range ◽  
Linear Response ◽  
Local Density ◽  
Hybrid Functional ◽  
Functional Theory ◽  
Density Linear

Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response

2020 ◽  
Vol 152 (4) ◽  
pp. 044111 ◽  
Author(s):  
Subrata Jana ◽  
Abhilash Patra ◽  
Lucian A. Constantin ◽  
Prasanjit Samal
Keyword(s):  
Linear Response ◽  
Local Density ◽  
Density Linear

scholarly journals Corrected local-density approximation band structures, linear-response dielectric functions, and quasiparticle lifetimes in noble metals

2001 ◽  
Vol 64 (19) ◽  
Author(s):  
V. P. Zhukov ◽  
F. Aryasetiawan ◽  
E. V. Chulkov ◽  
I. G. de Gurtubay ◽  
P. M. Echenique
Keyword(s):  
Local Density Approximation ◽  
Linear Response ◽  
Noble Metals ◽  
Local Density ◽  
Density Approximation ◽  
Band Structures

B88 exchange functional recovering the local spin density linear response

2016 ◽  
Vol 135 (7) ◽  
Author(s):  
J. M. del Campo
Keyword(s):  
Spin Density ◽  
Linear Response ◽  
Local Spin ◽  
Density Linear

Photographic Equidensitometry of High Voltage Electron Images of Thick Noncrystalline Materials

1972 ◽  
Vol 30 ◽  
pp. 594-595
Author(s):  
Keinosuke Kobayashi
Keyword(s):  
High Voltage ◽  
Linear Response ◽  
Thickness Distribution ◽  
Contour Map ◽  
Mass Thickness ◽  
Voltage Electron ◽  
High Voltage Electron ◽  
Homogeneous Particle ◽  
Photographic Emulsions ◽  
Logarithmic Relation

Equidensitometry as developed by E. Lau and W. Krug has been little used in the analysis of ordinary electron photomicrographs, yet its application to the high voltage electron images proves merits of this procedure. Proper sets (families) of equidensities as shown in the next page are able to reveal the contour map of mass thickness distribution in thick noncrystalline specimens. The change in density of the electron micrograph is directly related to the mass thickness of corresponding area in the specimen, because of the linear response of photographic emulsions to electrons and the logarithmic relation between electron opacity and mass thickness of amorphous object.This linearity is verified by equidensitometry of a spherical solid object as shown in Fig. 1a. The object is a large (1 μ) homogeneous particle of polystyrene. Fig. 1b is a composite print of three equidensities of the 1st order prepared from Fig. 1a.

Ab initio band theory approach to electron energy loss near edge structures

1988 ◽  
Vol 46 ◽  
pp. 506-507
Author(s):  
Xudong Weng ◽  
O.F. Sankey ◽  
Peter Rez
Keyword(s):  
Ab Initio ◽  
Local Density ◽  
Interpolation Method ◽  
Atomic Orbital ◽  
Plane Waves ◽  
Large Set ◽  
Theory Approach ◽  
Band Theory ◽  
Atomic Orbitals ◽  
Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

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