scholarly journals Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals

2006 ◽  
Vol 106 (9) ◽  
pp. 2026-2034 ◽  
Author(s):  
Julien Toulouse ◽  
Paola Gori-Giorgi ◽  
Andreas Savin
Keyword(s):  
Long Range ◽  
Short Range ◽  
Virial Theorem ◽  
Scaling Relations ◽  
Density Functionals ◽  
Range Density

Combining long-range configuration interaction with short-range density functionals

1997 ◽  
Vol 275 (3-4) ◽  
pp. 151-160 ◽  
Author(s):  
Thierry Leininger ◽  
Hermann Stoll ◽  
Hans-Joachim Werner ◽  
Andreas Savin
Keyword(s):  
Long Range ◽  
Configuration Interaction ◽  
Short Range ◽  
Density Functionals ◽  
Range Density

Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods

2010 ◽  
Vol 224 (3-4) ◽  
pp. 481-491 ◽  
Author(s):  
Erich Goll ◽  
Hans-Joachim Werner ◽  
Hermann Stoll
Keyword(s):  
Long Range ◽  
Short Range ◽  
Density Functional ◽  
Hartree Fock ◽  
Range Density

A meta-GGA level screened range-separated hybrid functional by employing short range Hartree–Fock with a long range semilocal functional

2018 ◽  
Vol 20 (13) ◽  
pp. 8999-9005 ◽  
Author(s):  
Subrata Jana ◽  
Prasanjit Samal
Keyword(s):  
Solid State ◽  
Long Range ◽  
Short Range ◽  
Density Functionals ◽  
Hybrid Functional ◽  
Hartree Fock ◽  
Wide Range

The range-separated hybrid density functionals are very successful in describing a wide range of molecular and solid-state properties accurately.

Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals

2006 ◽  
Vol 125 (7) ◽  
pp. 074106 ◽  
Author(s):  
Oleg A. Vydrov ◽  
Jochen Heyd ◽  
Aliaksandr V. Krukau ◽  
Gustavo E. Scuseria
Keyword(s):  
Long Range ◽  
Short Range ◽  
Density Functionals ◽  
Hartree Fock

scholarly journals Structural basis of long-range to short-range synaptic transition in NHEJ

Nature ◽  
2021 ◽  
Author(s):  
Siyu Chen ◽  
Linda Lee ◽  
Tasmin Naila ◽  
Susan Fishbain ◽  
Annie Wang ◽  
...  
Keyword(s):  
Long Range ◽  
Short Range ◽  
Structural Basis

scholarly journals Comparison of short-range order in irradiated dysprosium titanates

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Roman Sherrod ◽  
Eric C. O’Quinn ◽  
Igor M. Gussev ◽  
Cale Overstreet ◽  
Joerg Neuefeind ◽  
...  
Keyword(s):  
Long Range ◽  
Short Range ◽  
Structural Model ◽  
Ion Irradiation ◽  
Function Analysis ◽  
Ion Beam ◽  
Structural Response ◽  
Heavy Ion ◽  
Range Order ◽  
Radiation Resistant

AbstractThe structural response of Dy2TiO5 oxide under swift heavy ion irradiation (2.2 GeV Au ions) was studied over a range of structural length scales utilizing neutron total scattering experiments. Refinement of diffraction data confirms that the long-range orthorhombic structure is susceptible to ion beam-induced amorphization with limited crystalline fraction remaining after irradiation to 8 × 1012 ions/cm2. In contrast, the local atomic arrangement, examined through pair distribution function analysis, shows only subtle changes after irradiation and is still described best by the original orthorhombic structural model. A comparison to Dy2Ti2O7 pyrochlore oxide under the same irradiation conditions reveals a different behavior: while the dysprosium titanate pyrochlore is more radiation resistant over the long-range with smaller degree of amorphization as compared to Dy2TiO5, the former involves more local atomic rearrangements, best described by a pyrochlore-to-weberite-type transformation. These results highlight the importance of short-range and medium-range order analysis for a comprehensive description of radiation behavior.

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